SCHEMBL219752

SCHEMBL219752

C[C]1CC=Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SETD7 Q8WTS6 2/20 0.36
TP53 P04637 2/20 0.36
CHRM2 P08172 2/20 0.36
HTR1A P08908 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD2 P14416 2/20 0.36
ADRA2C P18825 2/20 0.36
CHRM3 P20309 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
DRD3 P35462 2/20 0.36

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
SCHEMBL17140795 0.76 TSHR (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL7214854 0.76 ALDH1A1 (0.38) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL3204587 0.74 MAOA (0.33) CYP1A2ALDH1A1MAPTKDM4EPOLB
SCHEMBL2324920 0.73 ALDH1A1 (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL2926382 0.73 ALDH1A1 (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL1941287 0.73 ALDH1A1 (0.40) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL5894113 0.73 ALDH1A1 (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL29385734 0.73 CES1 (0.45) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL2926757 0.73 ALDH1A1 (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10
SCHEMBL29569948 0.73 ALDH1A1 (0.35) TSHRCYP1A2CYP2D6ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107602609-B Method for preparing organic phosphate compound by using P (O) -OH compound and methyl-containing substituted aromatic hydrocarbon 湖南理工学院 2020-07-21 CN claimed
US-20180186902-A1 CATALYSTS QATAR FOUNDATION (QA) 2018-07-05 US claimed
EP-3334769-A1 CATALYSTS Qatar Foundation (QA) 2018-06-20 EP claimed
WO-2017025701-A1 CATALYSTS QATAR FOUNDATION (QA) 2017-02-16 WO claimed
EP-0862550-B1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 2000-11-08 EP claimed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US claimed
EP-0862550-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP claimed
EP-0636146-B1 TACHYKININ ANTAGONIST TRICYCLIC COMPOUNDS, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS MENARINI FARMA IND (IT) 1997-07-30 EP claimed
WO-1997009294-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO claimed
EP-0636146-A1 TACHYKININ ANTAGONIST TRICYCLIC COMPOUNDS, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS. MENARINI FARMA IND (IT) 1995-02-01 EP claimed
CN-1080916-A The quinic tricyclic compound of anti-column foot, its preparation method and contain the pharmaceutical composition of this compound MENARINI FARMA IND (IT) 1994-01-19 CN claimed
WO-1993021227-A1 TACHYKININ ANTAGONIST TRICYCLIC COMPOUNDS, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1993-10-28 WO claimed
EP-0325266-B1 DENTAL MATTER THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1993-08-11 EP claimed
EP-0278543-B1 PROCESS AND COMPOSITION FOR INHIBITING HIGH-TEMPERATURE IRON AND STEEL CORROSION PUMPTECH N.V. (BE) 1992-09-23 EP claimed
EP-0325266-A2 Dental matter THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1989-07-26 EP claimed
EP-0184095-B1 BISACYLPHOSPHINOXIDES, THEIR PREPARATION AND USE ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1989-07-05 EP claimed
US-4737593-A PHOTOINITIATORS FOR ADDITION POLYMERIZATION; DENTISTRY Fabrik Pharmazeutischer Praparate (DE) 1988-04-12 US claimed
EP-0184095-A2 Bisacylphosphinoxides, their preparation and use ESPE Stiftung & Co Produktions- und Vertriebs KG (DE) 1986-06-11 EP claimed
US-12037431-B2 Stable mass polymerizable polycycloolefin compositions as 3D printing materials and a method of fabrication thereof PROMERUS, LLC (US) 2024-07-16 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 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-12037431-B2 Stable mass polymerizable polycycloolefin compositions as 3D printing materials and a method of fabrication thereof RRP15, PPOX, NONO TSHR 3985/4885CYP1A2 1047/4885CYP2D6 1847/4885

“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.