SCHEMBL4371389

SCHEMBL4371389

Cc1[c]c(C)c(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
CYP2A6 P11509 2/20 0.39
CYP2B6 P20813 1/20 0.39
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
BACE1 P56817 1/20 0.36
ALOX5 P09917 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
TDO2 P48775 1/20 0.33
PSMB5 P28074 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL7704868 0.83 GSTP1 (0.49) SMN1; SMN2PTGS2TSHR
SCHEMBL7704625 0.83 ALDH1A1 (0.37) ESR2CYP2A6CYP2B6ALDH1A1HPGD
SCHEMBL5795387 0.82 ACHE (0.36) BACE1ALDH1A1HSD17B10HPGDLMNA
SCHEMBL8734269 0.79 ACHE (0.41) HPGDSMN1; SMN2PARP10PARP11TSHR
SCHEMBL456233 0.78 ESR2 (0.38) ESR2CYP2A6CYP2B6AKT1AKT2
SCHEMBL27714313 0.78 ESR2 (0.47) ESR2CYP2A6CYP2B6AKT1AKT2
SCHEMBL456995 0.78 ALDH1A1 (0.41) ESR2CYP2A6CYP2B6AKT1AKT2
SCHEMBL6206554 0.78 CYP2A6 (0.41) ESR2CYP2A6CYP2B6AKT1AKT2
SCHEMBL457524 0.78 ALDH1A1 (0.41) ESR2CYP2A6CYP2B6AKT1AKT2
SCHEMBL14675940 0.78 ESR2 (0.38) ESR2CYP2A6CYP2B6AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135600-A1 CATALYSTS FOR THE SYNTHESIS OF POLYURETHANES BAYER MATERIALSCIENCE AG (DE) 2009-11-12 WO claimed
US-20240189335-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY 2024-06-13 US disclosed
US-20240180948-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2024-06-06 US disclosed
US-20240165143-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY 2024-05-23 US disclosed
WO-2024086592-A2 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNVERSITY (US) 2024-04-25 WO disclosed
US-11903959-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto EMORY UNIVERSITY (US) 2024-02-20 US disclosed
WO-2024015916-A2 4'-ALKYNE-2'-DEOXYCYTIDINE-BASED COMPOUNDS AND ANTI-CANCER USES THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-01-18 WO disclosed
WO-2022174179-A9 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-02-02 WO disclosed
CN-115666587-A N4-hydroxycytidine and derivatives and related antiviral uses thereof 埃默里大学 2023-01-31 CN disclosed
WO-2022174194-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2022-08-18 WO disclosed
US-20200276219-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-09-03 US disclosed
WO-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 WO disclosed
WO-2019113462-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO EMORY UNIVERSITY (US) 2019-06-13 WO disclosed
CN-100575351-C Preparation of heterocyclic ketones BASELL POLYOLEFINE GMBH 2009-12-30 CN disclosed
WO-2009135600-A1 CATALYSTS FOR THE SYNTHESIS OF POLYURETHANES BAYER MATERIALSCIENCE AG (DE) 2009-11-12 WO disclosed
EP-1697339-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP disclosed
CN-1729184-A Preparation of heterocyclic ketones BASELL POLYOLEFINE GMBH (DE) 2006-02-01 CN disclosed
WO-2005063729-A1 3-(4-BENZYLOXYPHENYL)PROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-14 WO disclosed
US-6319702-B1 NUCLEOTIDE SEQUENCS CODING AN ENZYMATIC POLYPEPTIDE AND CELL TARGETING COMPOUND; FOR USE IN TREATMENT OF CANCER GLAXO WELLCOME, INC. 2001-11-20 US disclosed
US-4952580-A NEMATOCIDES, ANTHELMINTICS FMC CORPORATION (US) 1990-08-28 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 (5 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-11903959-B2 N4-hydroxycytidine and derivatives and anti-viral uses related thereto ENTPD1, NME2, NME1 ESR2 2177/4885CYP2A6 3103/4885CYP2B6 3248/4885
US-20240180948-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 ESR2 1956/4885CYP2A6 2694/4885CYP2B6 2210/4885
US-20240189335-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 ESR2 2177/4885CYP2A6 3103/4885CYP2B6 3248/4885
US-20240165143-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO PNP, PRPF4, HPRT1 ESR2 1956/4885CYP2A6 2694/4885CYP2B6 2210/4885
US-20200276219-A1 N4-HYDROXYCYTIDINE AND DERIVATIVES AND ANTI-VIRAL USES RELATED THERETO ENTPD1, NME2, NME1 ESR2 2177/4885CYP2A6 3103/4885CYP2B6 3248/4885

“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.