SCHEMBL14019461

SCHEMBL14019461

Cc1nc(-c2cccc(-c3cccnc3)c2)oc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
PGR P06401 1/20 0.43
CYP2A6 P11509 3/20 0.43
EPHX2 P34913 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
ELANE P08246 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
SCHEMBL14019475 0.87 MEN1 (0.44) ALDH1A1NPC1RAB9AHSD17B10CYP1A2
SCHEMBL1553828 0.80 NPC1 (0.49) ALDH1A1NPC1RAB9AHSD17B10KDM4E
SCHEMBL9833185 0.78 IKBKB (0.50) NPC1RAB9ATP53SMN1; SMN2IKBKB
SCHEMBL6377222 0.77 KDM4E (0.51) NPC1RAB9AKDM4EHPGDSMN1; SMN2
SCHEMBL4884150 0.76 MMP2 (0.53) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL30620885 0.71 CYP2A6 (0.79) ALDH1A1HSD17B10CYP1A2CYP3A4KDM4E
SCHEMBL17951830 0.71 CYP2A6 (0.79) ALDH1A1HSD17B10CYP1A2CYP3A4KDM4E
SCHEMBL12103445 0.71 CYP2A6 (0.79) ALDH1A1HSD17B10CYP1A2CYP3A4KDM4E
SCHEMBL9832652 0.71 NOTUM (0.44) ALDH1A1NPC1RAB9AHSD17B10CYP1A2
SCHEMBL8989246 0.70 IKBKB (0.49) ALDH1A1NPC1RAB9AHSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 US disclosed
US-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof BAYER HEALTHCARE AG (DE) 2008-10-16 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 (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-20080255202-A1 Phenylthioacetic Acid Derivatives and Use Thereof PAH, TST, MPST ALDH1A1 676/4885NPC1 371/4885RAB9A 3782/4885

“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.