SCHEMBL3556722

SCHEMBL3556722

O=Cc1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.53
XDH P47989 1/20 0.51
TRIM24 O15164 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
FOLH1 Q04609 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SRD5A2 P31213 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44
EGFR P00533 1/20 0.44
RXRA P19793 2/20 0.44
RARB P10826 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
SCHEMBL29950910 1.00 ERN1 (0.53) ERN1XDHTRIM24TRIM33ALDH1A1
SCHEMBL11040033 0.84 RAB9A (0.53) ERN1XDHTRIM24TRIM33ALDH1A1
SCHEMBL2561443 0.84 ERN1 (0.53) ERN1TRIM24TRIM33ALDH1A1FOLH1
SCHEMBL30497064 0.84 LMNA (0.60) ERN1XDHTRIM24TRIM33ALDH1A1
SCHEMBL11768743 0.84 LMNA (0.60) ERN1XDHTRIM24TRIM33ALDH1A1
SCHEMBL28618314 0.84 XDH (0.50) ERN1XDHTRIM24TRIM33DRD2
SCHEMBL28583890 0.84 TSHR (0.45) ALDH1A1TSHRDAONAPRTFOLH1
SCHEMBL977958 0.82 XDH (0.54) XDHTRIM24TRIM33ALDH1A1TSHR
SCHEMBL30924956 0.82 XDH (0.54) XDHTRIM24TRIM33ALDH1A1TSHR
SCHEMBL25390971 0.82 TSHR (0.62) TSHRDAONAPRTFOLH1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR ERN1 3888/4885XDH 3802/4885TRIM24 3538/4885

“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.