SCHEMBL875700

SCHEMBL875700

CCOC(=O)C1(C)CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.40
CYP3A4 P08684 3/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 4/20 0.35
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16391277 1.00 CYP2C19 (0.40) CYP2C19CYP3A4POLBSMN1; SMN2ATM
SCHEMBL7722193 0.98 ALDH1A1 (0.39) CYP2C19CYP3A4POLBSMN1; SMN2ATM
SCHEMBL4812312 0.95 CYP2C19 (0.43) CYP2C19CYP3A4POLBSMN1; SMN2ATM
SCHEMBL1858415 0.85 CYP2C19 (0.35) CYP2C19CYP3A4POLBSMN1; SMN2ALDH1A1
SCHEMBL9970859 0.84 ALDH1A1 (0.38) CYP2C19SMN1; SMN2ATMALDH1A1MEN1
SCHEMBL20390051 0.82 OPRM1 (0.47) CYP2C19CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL25046060 0.81 SMN1; SMN2 (0.37) POLBSMN1; SMN2ATMALDH1A1F10
SCHEMBL9035301 0.81 CYP2C19 (0.34) CYP2C19CYP3A4POLBALDH1A1MEN1
SCHEMBL13012717 0.81 ATM (0.40) POLBSMN1; SMN2ATMALDH1A1F10
SCHEMBL14498565 0.81 ALDH1A1 (0.33) CYP3A4POLBSMN1; SMN2ALDH1A1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720678-A1 SURVIVIN AS A BIOMARKER FOR PREDICTING THE RESPONSIVENESS OF CANCER TREATMENT Boehringer Ingelheim International GmbH (DE) 2026-04-08 EP disclosed
US-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS SCRIPPS RESEARCH INST (US) 2025-10-23 US disclosed
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-10-09 US disclosed
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-05-08 US disclosed
EP-4522595-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-03-19 EP disclosed
WO-2024246114-A1 SURVIVIN AS A BIOMARKER FOR PREDICTING THE RESPONSIVENESS OF CANCER TREATMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-12-05 WO disclosed
CN-119013272-A Cyclic 2-amino-3-cyanothiophenes and derivatives thereof for the treatment of cancer 勃林格殷格翰国际有限公司 2024-11-22 CN disclosed
EP-4441051-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
EP-4441050-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
CN-118591540-A KRAS degrading compounds comprising cyclic 2-amino-3-cyanothiophenes 勃林格殷格翰国际有限公司 2024-09-03 CN disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO disclosed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed
US-4461902-A BLOOD LIPID AND SUGAR LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-07-24 US disclosed
EP-0084926-A1 Thiazolidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-08-03 EP disclosed
US-4128560-A Tricyclic alkylamine derivatives AYERST MCKENNA & HARRISON LTD. (CA) 1978-12-05 US disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 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 (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-20250326731-A1 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS DNPH1, NISCH, PTMA CYP2C19 2563/4885CYP3A4 2940/4885POLB 2221/4885
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 CYP2C19 1035/4885CYP3A4 756/4885POLB 1243/4885
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES KRAS, NRAS, TP53 CYP2C19 1115/4885CYP3A4 794/4885POLB 330/4885

“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.