SCHEMBL3057597

SCHEMBL3057597

CC(Br)c1ccccc1COCc1ccccc1C(C)Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
P2RX7 Q99572 1/20 0.34
IDO1 P14902 5/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL7771649 0.83 GABRA1 (0.43) TSHRGABRA1GABRB2
SCHEMBL9463585 0.80 P2RX7 (0.37) TSHRP2RX7GABRA1GABRB2
SCHEMBL8666074 0.79 TSHR (0.34) TSHRIDO1GABRA1GABRB2ESR1
SCHEMBL11816146 0.78 NLRP3 (0.47)
SCHEMBL9571993 0.78 TSHR (0.53) TSHRGABRA1GABRB2
SCHEMBL11265054 0.77 P2RX7 (0.39) TSHRP2RX7GABRA1GABRB2
SCHEMBL9492902 0.77 GABRA1 (0.48) TSHRP2RX7GABRA1GABRB2
SCHEMBL11262186 0.77 GABRA1 (0.43) TSHRP2RX7GABRA1GABRB2
SCHEMBL31158055 0.77 P2RX7 (0.39) TSHRP2RX7GABRA1GABRB2
SCHEMBL13145477 0.75 TSHR (0.56) TSHRIDO1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157388-A Carbocyclic amide derivative and application thereof in medicine 四川海思科制药有限公司 2023-05-23 CN disclosed
US-20230130894-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, CURED SUBSTANCE, AND FILM FUJIFILM CORPORATION (JP) 2023-04-27 US disclosed
EP-4144820-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, CURED PRODUCT AND FILM FUJIFILM Corporation (JP) 2023-03-08 EP disclosed
CN-115461320-A Compound, liquid crystal composition, cured product and film 富士胶片株式会社 2022-12-09 CN disclosed
CN-107438599-B Targeted Notch pathway inhibitors 豪夫迈·罗氏有限公司 2021-12-10 CN disclosed
CN-112449638-A Antibacterial compounds 英菲克斯治疗有限公司 2021-03-05 CN disclosed
US-7789610-B2 Methods for preventing/treating damage to sensory hair cells and cochlear neurons CEPHALON, INC. (US) 2010-09-07 US disclosed
US-20100222340-A1 SUBSTITUTED PYRIDO [1,2-a] ISOQUINOLINE DERIVATIVES BOEHRINGER MARKUS 2010-09-02 US disclosed
EP-1851216-A2 SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2007-11-07 EP disclosed
EP-1126855-B1 USE OF FUSED PYRROLOCARBAZOLES FOR PREVENTING/TREATING DAMAGE TO SENSORY HAIR CELLS AND COCHLEAR NEURONS CEPHALON INC (US) 2007-05-09 EP disclosed
WO-2006058628-A2 SUBSTITUTED BENZOQUINOLIZINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO disclosed
US-20060116393-A1 Substituted pyrido [2,1-a] isoquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-01 US disclosed
EP-1126855-A4 METHODS FOR PREVENTING/TREATING DAMAGE TO SENSORY HAIR CELLS AND COCHLEAR NEURONS CEPHALON INC (US) 2004-05-19 EP disclosed
US-6448283-B1 FUSED PYRROLOCARBAZOLES; HEARING LOSS AND LOSS OF THE SENSE OF BALANCE CEPHALON, INC. 2002-09-10 US disclosed
US-20020115706-A1 Methods for preventing/treating damage to sensory hair cells and cochlear neurons CEPHALON, INC. 2002-08-22 US disclosed
EP-1126855-A1 METHODS FOR PREVENTING/TREATING DAMAGE TO SENSORY HAIR CELLS AND COCHLEAR NEURONS CEPHALON, INC. (US) 2001-08-29 EP disclosed
WO-2000018407-A9 METHODS FOR PREVENTING/TREATING DAMAGE TO SENSORY HAIR CELLS AND COCHLEAR NEURONS CEPHALON INC (US) 2000-09-21 WO disclosed
WO-2000018407-A1 METHODS FOR PREVENTING/TREATING DAMAGE TO SENSORY HAIR CELLS AND COCHLEAR NEURONS CEPHALON, INC. (US) 2000-04-06 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 (4 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-20060116393-A1 Substituted pyrido [2,1-a] isoquinoline derivatives DPP4, DPP7, DPP3 TSHR 959/4885P2RX7 285/4885IDO1 171/4885
US-20100222340-A1 SUBSTITUTED PYRIDO [1,2-a] ISOQUINOLINE DERIVATIVES DPP4, DPP7, DPP3 TSHR 935/4885P2RX7 291/4885IDO1 178/4885
US-20020115706-A1 Methods for preventing/treating damage to sensory hair cells and cochlear neurons GJB2, GAP43, MYOC TSHR 4421/4885P2RX7 2995/4885IDO1 4467/4885
US-20230130894-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION, CURED SUBSTANCE, AND FILM FLNB, MAOB, PYCARD TSHR 3825/4885P2RX7 1997/4885IDO1 2918/4885

“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.