SCHEMBL3486531

SCHEMBL3486531

CCOP(=O)(CCCc1ccc(C(=O)O)cc1)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.54
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.51
RARA P10276 1/20 0.51
MAPT P10636 1/20 0.51
MTOR P42345 1/20 0.51
KMT2A Q03164 1/20 0.51
PLK1 P53350 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41

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
SCHEMBL8668415 0.91 ALDH1A1 (0.50) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8666983 0.88 PLK1 (0.43) RARBPLK1TRPV1
SCHEMBL8658558 0.82 CETP (0.45)
SCHEMBL7185151 0.81 RARB (0.47) RARBALDH1A1MEN1RARAMAPT
SCHEMBL454324 0.81 ALDH1A1 (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8102366 0.81 TP53 (0.59) RARBALDH1A1
SCHEMBL1835123 0.80 TAAR1 (0.42)
SCHEMBL11795292 0.80 MAOB (0.43)
SCHEMBL1833138 0.80 FDPS (0.43) ALDH1A1
SCHEMBL10937278 0.78 RXRA (0.50) RARBALDH1A1RXRARXRBNPC1

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
CN-1678591-A Novel carboxamide compounds having MCH-antagonistic action, pharmaceutical preparations comprising said compounds and process for their preparation BOEHRINGER INGELHEIM INT (DE) 2005-10-05 CN disclosed
CN-1166618-C New selective retinoid agonists - 2004-09-15 CN disclosed
CN-1368946-A New selective retinoid agonists HOFFMANN LA ROCHE (CH) 2002-09-11 CN disclosed
EP-0638581-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 1998-12-23 EP disclosed
US-5480874-A THIAZOLE AND IMIDAZOLE DERIVATIVES; ANTIHYPERLIPIDEMICS AND HYPOGLYCEMICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-01-02 US disclosed
EP-0638581-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-02-15 EP 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 RARB 3403/4885ALDH1A1 794/4885MEN1 758/4885

“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.