SCHEMBL6267359

SCHEMBL6267359

COC(=O)C12CCCC1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.37
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
ABCB11 O95342 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CHRM3 P20309 1/20 0.36
DRD1 P21728 1/20 0.36
HRH2 P25021 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 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
SCHEMBL29726715 0.94 MAPT (0.42) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL1709532 0.88 CYP3A4 (0.45) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL20103712 0.84 CYP3A4 (0.50) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL15282862 0.83 ALDH1A1 (0.33) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL2833742 0.82 CYP3A4 (0.44) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL4002175 0.81 CYP3A4 (0.32) NPSR1CYP3A4LMNACYP1A2ABCB11
SCHEMBL11858353 0.80 CYP3A4 (0.54) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL20054732 0.80 CYP3A4 (0.50) NPSR1MAPTCYP3A4LMNACYP1A2
SCHEMBL17868702 0.79 CYP3A4 (0.47) NPSR1CYP3A4LMNACYP1A2ABCB11
SCHEMBL18814945 0.79 CYP3A4 (0.47) NPSR1CYP3A4LMNACYP1A2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800987-B Cephalosporin compound and application thereof in preparation of antibacterial drugs 复旦大学 2026-05-19 CN disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
CN-117800987-A Cephalosporin compound and application thereof in preparation of antibacterial drugs 复旦大学 2024-04-02 CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
US-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-04 US disclosed
EP-4110782-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS Fochon Biosciences, Ltd. (CN) 2023-01-04 EP disclosed
CN-115551856-A Compounds as CDK2/4/6 inhibitors 重庆复尚源创医药技术有限公司 2022-12-30 CN disclosed
EP-1601646-A2 2-SUBSTITUTED VITAMIN D ANALOGUES AND THEIR THERAPEUTIC USES K.U. Leuven Research and Development (BE) 2005-12-07 EP disclosed
WO-2004080922-A2 SUBSTITUTED VITAMIN D ANALOGUES AND THEIR THERAPEUTIC USES K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2004-09-23 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 (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-20230135215-A1 COMPOUNDS AS CDK2/4/6 INHIBITORS CDK2, CDK6, CDK20 NPSR1 4675/4885MAPT 2321/4885CYP3A4 659/4885

“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.