SCHEMBL68647

SCHEMBL68647

Cc1ccc(C#N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ACHE P22303 1/20 0.43
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
MMP3 P08254 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL31294509 1.00 TSHR (0.46) TSHRCASP1ALDH1A1CYP2A6CA12
SCHEMBL26936685 0.84 MMP3 (0.55) TSHRCASP1ALDH1A1CYP2A6CA12
SCHEMBL2331670 0.82 AR (0.50) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL29449995 0.78 CA12 (0.52) TSHRALDH1A1CYP2A6CA12CA2
SCHEMBL217250 0.78 CA12 (0.52) TSHRALDH1A1CYP2A6CA12CA2
SCHEMBL1436903 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL29814587 0.78 CYP2A6 (0.52) ALDH1A1CYP2A6CA12CA2CA3
SCHEMBL2807586 0.77 TSHR (0.46) TSHRCASP1ALDH1A1CA12CA2
SCHEMBL23271632 0.76 CA12 (0.50) TSHRALDH1A1CA12CA2CA3
SCHEMBL34461940 0.76 CA12 (0.50) TSHRALDH1A1CA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775566-B Cyano resin containing cage-shaped silsesquioxane structure and preparation method thereof 西华大学 2025-05-13 CN claimed
CN-119775566-A Cyano resin containing cage-shaped silsesquioxane structure and preparation method thereof 西华大学 2025-04-08 CN claimed
CN-119355157-A Method for determining impurity content of 4-cyano-2-methoxybenzaldehyde serving as non-nelidanone starting material 江苏联环药业股份有限公司 2025-01-24 CN claimed
CN-113311605-B Decorative film, shell assembly and electronic equipment OPPO广东移动通信有限公司 2022-11-29 CN claimed
CN-113311605-A Decorative film, shell assembly and electronic equipment OPPO广东移动通信有限公司 2021-08-27 CN claimed
CN-122094943-A Novel 1,2, 4-oxadiazoles as fungicides 2026-05-26 CN disclosed
EP-4674843-A1 TETRAZINE ANALOGUES FOR THERANOSTIC APPLICATION University of Copenhagen (DK) 2026-01-07 EP disclosed
US-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF BIOLEXIS THERAPEUTICS INC (US) 2025-12-25 US disclosed
CN-119775566-B Cyano resin containing cage-shaped silsesquioxane structure and preparation method thereof 西华大学 2025-05-13 CN disclosed
CN-119775566-A Cyano resin containing cage-shaped silsesquioxane structure and preparation method thereof 西华大学 2025-04-08 CN disclosed
WO-2025052333-A1 NOVEL 1,2,4-OXADIAZOLES COMPOUNDS AS FUNGICIDE PI INDUSTRIES LTD. (IN) 2025-03-13 WO disclosed
CN-119546605-A Protein degradation agent 苏州开拓药业股份有限公司 2025-02-28 CN disclosed
CN-1154114-A New thrombin inhibitors, their preparation and use BASF AG (DE) 1997-07-09 CN disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
EP-0773955-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-05-21 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
WO-1996024609-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 WO disclosed
WO-1995035309-A1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AKTIENGESELLSCHAFT (DE) 1995-12-28 WO disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US 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 (1 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-20250388571-A1 AMP-ACTIVATED PROTEIN KINASE MODULATOR COMPOUNDS AND USES THEREOF PRKAB2, PRKAB1, PRKAR2B TSHR 919/4885CASP1 3534/4885ALDH1A1 4339/4885

“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.