SCHEMBL219753

SCHEMBL219753

Cc1[c]ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 5/20 0.43
HSD17B10 Q99714 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 7/20 0.43
HPRT1 P00492 1/20 0.40
HPGD P15428 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1B1 Q16678 1/20 0.37
KEAP1 Q14145 1/20 0.36
MAPT P10636 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.33

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
SCHEMBL18317376 0.83 HSD17B10 (0.47) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL18317373 0.83 HPRT1 (0.56) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL2117384 0.80 ALDH1A1 (0.38) CYP2A6ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL1557072 0.79 ALDH1A1 (0.37) CYP2A6ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL114219 0.75 ALDH1A1 (0.48) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1178290 0.74
SCHEMBL7762823 0.73 DHFR (0.47) CYP2A6ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL1535589 0.73 CYP1A2 (0.47) CYP2A6ALDH1A1HSD17B10TDP1CYP1A2
SCHEMBL2254086 0.73
SCHEMBL3895040 0.73 ALDH1A1 (0.43) CYP2A6ALDH1A1TSHRHSD17B10TDP1

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 1391 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US claimed
CN-109734666-B Preparation method for synthesizing indazolinones compound by carbon dioxide promotion and photo-induction without photocatalyst 湖南大学 2023-03-28 CN claimed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US claimed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP claimed
WO-2021249969-A1 COMBINATION PRODUCT FOR THE TREATMENT OF CANCER DISEASES MERCK PATENT GMBH (DE) 2021-12-16 WO claimed
EP-3898588-A1 DISUBSTITUTED ALKYNE DERIVATIVES Merck Patent GmbH (DE) 2021-10-27 EP claimed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP claimed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US claimed
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
WO-2020127960-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2020-06-25 WO 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-4174222-A NAPHTHOQUINONE-(1,2)-DIAZIDO-(2)-SULFONIC ACID ESTER OF ALKYL OR ARYL GALLATE, PHENOLIC NOVOLAC RESIN TO GIVE ETCH RESISTANCE TOKYO OHKA KOGYO KABUSHIKI KAISHA (JP) 1979-11-13 US claimed
US-4101690-A COLOR DEVELOPERS, ETHYLENE OXIDE-PROPYLENE OXIDE-AMINE ADDUCTS FUJI PHOTO FILM CO., LTD. (JP) 1978-07-18 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-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 CYP2A6 131/4885ALDH1A1 468/4885TSHR 654/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 CYP2A6 131/4885ALDH1A1 468/4885TSHR 654/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA CYP2A6 2603/4885ALDH1A1 414/4885TSHR 3500/4885

“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.