SCHEMBL3937571

SCHEMBL3937571

COc1cc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
DHODH Q02127 2/20 0.60
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
RXFP1 Q9HBX9 6/20 0.56
NPC1 O15118 1/20 0.56
EPRS1 P07814 2/20 0.54
PPARG P37231 4/20 0.54
NCOR2 Q9Y618 4/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
RECQL P46063 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GLA P06280 1/20 0.54
NR4A1 P22736 1/20 0.54
MCL1 Q07820 1/20 0.54
GAA P10253 2/20 0.54

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
SCHEMBL9867556 0.88 MEN1 (0.69) KDM4EDHODHMEN1KMT2ARXFP1
SCHEMBL3935413 0.86 KDM4E (0.68) KDM4EMEN1KMT2ANPC1POLB
SCHEMBL4602317 0.86 KDM4E (0.66) KDM4EDHODHMEN1KMT2APOLB
SCHEMBL3936014 0.86 KDM4E (0.68) KDM4EMEN1KMT2ANPC1POLB
SCHEMBL4020590 0.85 KDM4E (0.64) KDM4EDHODHMEN1KMT2APOLB
SCHEMBL4600479 0.85 DHODH (0.64) KDM4EDHODHMEN1KMT2ARXFP1
SCHEMBL4602056 0.84 RAB9A (0.70) KDM4EDHODHMEN1KMT2ANPC1
SCHEMBL29674931 0.84 RAB9A (0.70) KDM4EDHODHMEN1KMT2ANPC1
SCHEMBL18320787 0.84 KDM4E (0.71) KDM4EDHODHMEN1KMT2ARXFP1
SCHEMBL4602879 0.81 KDM4E (0.59) KDM4EMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US claimed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO claimed
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R KDM4E 2399/4885DHODH 3439/4885MEN1 410/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 KDM4E 1126/4885DHODH 3600/4885MEN1 397/4885

“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.