SCHEMBL840261

SCHEMBL840261

[CH2]Cc1ccc(CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
CYP2A6 P11509 2/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.41
LMNA P02545 1/20 0.41
TRPA1 O75762 1/20 0.40
MGLL Q99685 2/20 0.39
PLK1 P53350 1/20 0.39
IDO1 P14902 1/20 0.39
SRC P12931 1/20 0.39

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
Ethylene SCHEMBL27468236 0.83 TP53 (0.59) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL1803971 0.83 ESR1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL36295 0.83 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL51393 0.81
Formaldehyde SCHEMBL27479517 0.80 TP53 (0.56) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL31498555 0.79 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL29290777 0.79 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL7542835 0.79 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Ammonia Solution, Strong SCHEMBL27293386 0.79 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL27925242 0.79 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117799197-A Large-area electrochromic device and preparation method thereof 绍兴百立盛新材料科技有限公司 2024-04-02 CN claimed
US-11897789-B2 Polymer/carbon nanotube composite and methods for wastewater treatment KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2024-02-13 US claimed
CN-112867706-A MASP-2 inhibitors and methods of use 奥默罗斯公司 2021-05-28 CN claimed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP claimed
WO-2017199103-A1 BENZAMIDE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2017-11-23 WO claimed
EP-3087060-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-11-02 EP claimed
EP-1294699-B1 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORP (US) 2016-04-13 EP claimed
WO-2015096651-A1 PYRIMIDONE CARBOXAMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-02 WO claimed
CN-102015651-B Compounds and compositions as TLR activity modulators IRM LLC 2014-12-31 CN claimed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US claimed
US-20030195187-A1 Guanidino compounds CHIRON CORPORATION 2003-10-16 US claimed
CN-1441787-A Modulators of TNF-alpha signaling GENZYME CORP (US) 2003-09-10 CN claimed
WO-2003066597-A2 GUANIDINO COMPOUNDS CHIRON CORPORATION (US) 2003-08-14 WO claimed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP claimed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US claimed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US claimed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 WO claimed
US-4500538-A Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1985-02-19 US claimed
EP-0122178-A2 Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO. INC. (US) 1984-10-17 EP claimed
US-4470991-A Benzothiazolesulfonamide derivatives for the topical treatment of elevated intraocular pressure MERCK & CO., INC. (US) 1984-09-11 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20030195187-A1 Guanidino compounds MC4R, MC2R, GPR4 TP53 4044/4885TAAR1 665/4885CYP2A6 3160/4885
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 TP53 1043/4885TAAR1 2386/4885CYP2A6 595/4885
US-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 TP53 4343/4885TAAR1 893/4885CYP2A6 1063/4885

“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.