SCHEMBL3104353

SCHEMBL3104353

CC(=O)c1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.53
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TTR P02766 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTPRC P08575 2/20 0.47
CYP2C8 P10632 2/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KMO O15229 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
FOLH1 Q04609 1/20 0.46
SRD5A2 P31213 2/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
SRD5A1 P18405 1/20 0.45
EGFR P00533 1/20 0.44
ROCK2 O75116 1/20 0.44

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
SCHEMBL594370 0.87 FOLH1 (0.59) TTRALDH1A1PTPRCCYP2C8CYP2C9
SCHEMBL6637234 0.86 AKR1C3 (0.55) MAPTSMN1; SMN2AKR1C3AKR1C2FOLH1
SCHEMBL22729968 0.85 TTR (0.52) SMN1; SMN2TTRALDH1A1PTPRCCYP2C8
Water SCHEMBL28745832 0.85 FOLH1 (0.57) TTRALDH1A1PTPRCCYP2C8CYP2C9
SCHEMBL29562805 0.85 TTR (0.52) SMN1; SMN2TTRALDH1A1PTPRCCYP2C8
SCHEMBL8637967 0.84 KMO (0.59) KDM4CALDH1A1CYP2C9KDM4EKMO
SCHEMBL5215160 0.82 BCAT2 (0.61) TTRALDH1A1PTPRCCYP2C8CYP2C9
SCHEMBL27736136 0.82 CYP2C8 (0.71) TTRALDH1A1CYP2C8CYP2C9KDM4E
SCHEMBL5951431 0.81 SMN1; SMN2 (0.53) MAPTSMN1; SMN2KDM4EFOLH1KMT2A
SCHEMBL31413664 0.81 SMN1; SMN2 (0.53) MAPTSMN1; SMN2KDM4EFOLH1KMT2A

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-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
CN-101208342-A Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists WYETH CORP (US) 2008-06-25 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-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 KDM4C 2598/4885MAPT 1137/4885SMN1; SMN2 1960/4885

“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.