SCHEMBL6313462

SCHEMBL6313462

CC(C)c1cc[c]cc1NC(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SHMT2 P34897 1/20 0.40
CYP1A1 P04798 1/20 0.40
POLB P06746 2/20 0.39
BCHE P06276 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.39

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
SCHEMBL28691740 0.82 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1
SCHEMBL6313251 0.78 KDM4E (0.49) CYP2C19SMN1; SMN2TDP1KDM4EALDH1A1
SCHEMBL6316170 0.70 NPSR1 (0.42) L3MBTL1
SCHEMBL3337034 0.70 CYP1A1 (0.65) SMN1; SMN2KDM4EALDH1A1CYP1A1POLB
SCHEMBL2896689 0.68 POLB (0.56) SMN1; SMN2KDM4EALDH1A1HPGDPOLB
SCHEMBL3333827 0.68 L3MBTL1 (0.60) SMN1; SMN2ALDH1A1CYP1A1POLBBCHE
SCHEMBL2207254 0.66 L3MBTL1 (0.59) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9945977 0.66 RAB9A (0.68) SMN1; SMN2ALDH1A1HPGDCYP1A1POLB
SCHEMBL6653640 0.66 MAPK1 (0.44) SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9850229 0.65 CYP2C19 (0.62) CYP2C19SMN1; SMN2TDP1KDM4ESHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR CYP2C19 462/4885SMN1; SMN2 4132/4885TDP1 4057/4885

“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.