SCHEMBL23979720

SCHEMBL23979720

CC(C)c1cc(F)cc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.46
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
UGT2B7 P16662 1/20 0.35
HPRT1 P00492 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2B P41595 1/20 0.34
GPR65 Q8IYL9 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
SCHEMBL19682786 0.84 CYP1A2 (0.44) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL26728094 0.80 CYP1A2 (0.48) CYP1A2CYP2A6ALDH1A1HIF1ACYP2C9
SCHEMBL2173494 0.79 UGT2B7 (0.44) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL6366989 0.79 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL25059970 0.78 TRPM4 (0.46) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL19067389 0.78 NQO2 (0.55) CYP1A2ALDH1A1HIF1ACYP2C19GABRA1
SCHEMBL5252919 0.78 CYP1A2 (0.40) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL21758895 0.78 GABRA1 (0.47) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL21302107 0.78 ALDH1A1 (0.45) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1
SCHEMBL7835784 0.78 ALDH1A1 (0.37) CYP1A2CYP2A6ALDH1A1HIF1ACYP1B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-11-23 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO 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 (2 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-20230374036-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS CYP1A2 4742/4885CYP2A6 3882/4885ALDH1A1 4243/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885

“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.