SCHEMBL9920686

SCHEMBL9920686

CCCCOc1cccc2c(Cl)c(C(=O)OC)sc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 2/20 0.44
COMT P21964 2/20 0.42
TP53 P04637 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
MCL1 Q07820 2/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 1/20 0.41
ALOX15 P16050 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL8021176 0.77 KDM4E (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9920609 0.75 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21874451 0.75 COMT (0.45) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5038317 0.71 COMT (0.47) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5032108 0.71 MCL1 (0.51) MAPTALDH1A1CYP1A2CYP2C9GAA
SCHEMBL1448838 0.71 KDM4E (0.41) MAPTALDH1A1CYP1A2CYP2C9TP53
SCHEMBL346865 0.70 MCHR1 (0.47) MAPTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL9667534 0.69 KMT2A (0.74) MAPTALDH1A1CYP1A2TP53GAA
SCHEMBL4386528 0.68 LMNA (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7956581 0.68 MAPT (0.62) MAPTALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 MAPT 2558/4885ALDH1A1 4548/4885CYP1A2 4827/4885

“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.