SCHEMBL23927644

SCHEMBL23927644

COC(=O)c1cc(CCO)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 9/20 0.55
CYP4F2 P78329 8/20 0.55
ALDH1A1 P00352 5/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL14967252 0.87 CYP4A11 (0.55) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL3075763 0.86 CA12 (0.52) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL10610210 0.86 CYP4A11 (0.58) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL6620151 0.85 CYP4F2 (0.53) CYP4A11CYP4F2ALDH1A1KDM4EMAPT
SCHEMBL23294027 0.85 ALDH1A1 (0.47) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL17706016 0.84 ALDH1A1 (0.67) ALDH1A1GAAKDM4EMAPTHPGD
SCHEMBL15999757 0.84 ALDH1A1 (0.53) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL29112786 0.83 CA12 (0.59) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL30394564 0.82 CYP4A11 (0.54) CYP4A11CYP4F2ALDH1A1GAAKDM4E
SCHEMBL26102797 0.82 CYP4A11 (0.54) CYP4A11CYP4F2ALDH1A1GAAKDM4E

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 CYP4A11 310/4885CYP4F2 1652/4885ALDH1A1 3959/4885

“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.