SCHEMBL3558703

SCHEMBL3558703

Cc1cc(C(=O)O)ccc1-c1c(C)cccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.58
TYMS P04818 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GRM1 Q13255 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
TTR P02766 3/20 0.46
PTPN7 P35236 2/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46
RARB P10826 1/20 0.46

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
SCHEMBL8103063 0.86 MYC (0.64) MYCTYMSKDM4EALDH1A1GRM1
SCHEMBL2744380 0.85 MYC (0.53) MYCTYMSKDM4EALDH1A1L3MBTL1
SCHEMBL13601660 0.84 TTR (0.54) MYCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL68014 0.84 ALDH1A1 (0.57) MYCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL272092 0.83 TTR (0.56) MYCKDM4EALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL4352471 0.82 ALDH1A1 (0.56) MYCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL31658246 0.81 AKR1C3 (0.61) MYCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL3554734 0.81 LOXL2 (0.49) MYCKDM4EALDH1A1GAAL3MBTL1
SCHEMBL11686537 0.80 TTR (0.56) MYCTYMSKDM4EALDH1A1GAA
SCHEMBL14950582 0.80 ALDH1A1 (0.54) MYCKDM4EALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
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
EP-1879898-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 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
WO-2006124581-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS WYETH (US) 2006-11-23 WO disclosed
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH (US) 2006-11-16 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 (2 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-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists FSHR, GNRHR, PRLHR MYC 3109/4885TYMS 2749/4885KDM4E 1165/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR MYC 3999/4885TYMS 2953/4885KDM4E 879/4885

“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.