SCHEMBL6958993

SCHEMBL6958993

CCc1cc2cc(C)ccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.50
ICAM1 P05362 1/20 0.41
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CYP1A2 P05177 2/20 0.41
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ADRB2 P07550 1/20 0.38
ASIC3 Q9UHC3 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12489953 0.85 CYP2A6 (0.47) CYP2A6TRPM8CYP1A2ADRB2ASIC3
SCHEMBL15896882 0.84 HDAC3 (0.46) CYP2A6ICAM1SELEVCAM1CYP1A2
SCHEMBL3463194 0.82 CYP2A6 (0.49) CYP2A6TRPM8CYP1A2ADRB2ASIC3
SCHEMBL27759975 0.82 CYP2A6 (0.58) CYP2A6TRPM8CYP1A2ADRB2ASIC3
SCHEMBL122572 0.82 CYP2A6 (0.58) CYP2A6ICAM1SELETRPM8CYP1A2
SCHEMBL18951336 0.81 ICAM1 (0.38) CYP2A6ICAM1SELEVCAM1TRPM8
SCHEMBL10222545 0.80 CYP2A6 (0.45) CYP2A6CYP1A2ADRB2ASIC3LOXL2
SCHEMBL28221396 0.79 CYP2A6 (0.46) CYP2A6TRPM8CYP1A2ADRB2ASIC3
SCHEMBL13329682 0.79 CYP2A6 (0.46) CYP2A6TRPM8CYP1A2ADRB2ASIC3
SCHEMBL13201401 0.79 CYP2A6 (0.42) CYP2A6TRPM8CYP1A2ADRB2ASIC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-06-29 US disclosed
US-10985327-B2 Microcrystalline organic semiconductor film, organic semiconductor transistor, and method of manufacturing organic semiconductor transistor FUJIFILM CORPORATION (JP) 2021-04-20 US disclosed
EP-3522244-B1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD FOR PRODUCING ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORP (JP) 2020-07-15 EP disclosed
EP-3522242-A1 BOTTOM GATE-TYPE ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM Corporation (JP) 2019-08-07 EP disclosed
EP-3522243-A1 COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR FILM AND METHOD FOR PRODUCING SAME, AND ORGANIC SEMICONDUCTOR ELEMENT FUJIFILM Corporation (JP) 2019-08-07 EP disclosed
EP-3522244-A1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD FOR PRODUCING ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM Corporation (JP) 2019-08-07 EP disclosed
US-20190237677-A1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORPORATION (JP) 2019-08-01 US disclosed
US-20190221754-A1 BOTTOM GATE TYPE ORGANIC SEMICONDUCTOR TRANSISTOR FUJIFILM CORPORATION (JP) 2019-07-18 US disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
EP-0819125-B1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORP (US) 2003-06-18 EP disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 US disclosed
US-6342610-B2 COMPOUNDS SUCH AS N-(4-BROMO-3-METHYL-5-ISOXAZOLYL)-2-N-BENZYLBENZO(B)THIOPHENE-3-SUFONAMIDE ADMINISTERED AS ENDOTHELIN PEPTIDE RECEPTOR ANTAGONISTS TEXAS BIOTECHNOLOGY CORP. 2002-01-29 US disclosed
US-6331637-B1 N-Alkyl, N-Alkenyl, N-Alkynyl, N-Aryl and N-fused bicyclo or tricyclo thienyl-, furyl-,and Pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION 2001-12-18 US disclosed
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN ENCYSIVE PHARMACEUTICALS INC. 2001-09-13 US disclosed
EP-1048657-A1 Thienyl-, furyl-, pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-11-02 EP disclosed
US-5962490-A Thienyl-, furyl- and pyrrolyl-sulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-05 US disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
US-5594021-A VASOCONSTRICTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1997-01-14 US disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190237677-A1 MICROCRYSTALLINE ORGANIC SEMICONDUCTOR FILM, ORGANIC SEMICONDUCTOR TRANSISTOR, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR TRANSISTOR OR10J3, ALK, MSMO1 CYP2A6 3031/4885ICAM1 260/4885SELE 4179/4885
US-20230203022-A1 HETEROCYCLE AND GLUTARIMIDE SKELETON-BASED COMPOUND AND APPLICATIONS THEREOF TNF, GCDH, LITAF CYP2A6 959/4885ICAM1 1508/4885SELE 3705/4885
US-20010021714-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN EDNRA, EDNRB, NPSR1 CYP2A6 3363/4885ICAM1 1779/4885SELE 184/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 CYP2A6 1833/4885ICAM1 4216/4885SELE 4624/4885
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 CYP2A6 753/4885ICAM1 2321/4885SELE 50/4885
US-10985327-B2 Microcrystalline organic semiconductor film, organic semiconductor transistor, and method of manufacturing organic semiconductor transistor OR10J3, ALK, MSMO1 CYP2A6 3031/4885ICAM1 260/4885SELE 4179/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.