SCHEMBL3552327

SCHEMBL3552327

CC(C)C(=O)c1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
LTB4R2 Q9NPC1 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCAT2 O15382 1/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 1/20 0.44
FOLH1 Q04609 2/20 0.43
CYP2C8 P10632 1/20 0.43
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43
TSHR P16473 2/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
TTR P02766 1/20 0.42
HNF4A P41235 1/20 0.42
DAO P14920 1/20 0.42

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
SCHEMBL10137801 0.88 BCAT2 (0.57) LTB4R2MEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL5937044 0.87 LTB4R2 (0.53) LTB4R2MEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL70136 0.82 CDC25B (0.55) RXRARARBRARGLTB4R2BCAT2
SCHEMBL27715380 0.82 TTR (0.49) RXRAKMT2ARXRBRXRGFOLH1
SCHEMBL11996604 0.81 SLC6A3 (0.61) LTB4R2MEN1KMT2ASMN1; SMN2BCAT2
SCHEMBL3104358 0.81 KDM4C (0.58) RXRARARBRARGLTB4R2MEN1
Water SCHEMBL28312529 0.80 CDC25B (0.53) RXRARARBRARGLTB4R2BCAT2
SCHEMBL28757569 0.80 ALDH1A1 (0.52) LTB4R2MEN1KMT2AFOLH1HNF4A
SCHEMBL8691793 0.80 NPSR1 (0.58) RXRARARBRARGLTB4R2MEN1
Biphenyl SCHEMBL29033444 0.79 CDC25B (0.61) RXRARARBRARGLTB4R2MEN1

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 RXRA 443/4885RARB 961/4885RARG 1319/4885

“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.