SCHEMBL4154550

SCHEMBL4154550

CCCOc1c(-c2ccccc2C(=O)O)ccc2c1O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.49
MAPK1 P28482 1/20 0.42
IDO1 P14902 2/20 0.41
CYP2C9 P11712 2/20 0.41
FOLH1 Q04609 1/20 0.39
MAPK8 P45983 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
MYC P01106 1/20 0.36
KMT2A Q03164 3/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP3A4 P08684 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL9114885 0.82 KMT2A (0.39) MAPK1MAPK8ALDH1A1CCNB2CCNE2
SCHEMBL4145608 0.75 PTPN11 (0.51) PTPN11MAPK1IDO1CYP2C9FOLH1
SCHEMBL10751518 0.75 PTPN11 (0.56) PTPN11MAPK1ALDH1A1KMT2ACYP3A4
SCHEMBL28665582 0.73 PNMT (0.38) PTPN11ALDH1A1KMT2AMEN1
SCHEMBL5149360 0.72 HNF4A (0.50) PTPN11IDO1CYP2C9MAPK8ALDH1A1
SCHEMBL28423414 0.72 KMT2A (0.53) PTPN11MAPK1MAPK8ALDH1A1CCNB2
SCHEMBL29000085 0.71 PTGER1 (0.49) PTPN11MAPK1ALDH1A1KMT2APTK2B
SCHEMBL28565062 0.71 MYC (0.53) CYP2C9FOLH1ALDH1A1MYCKMT2A
SCHEMBL27841694 0.69 KMT2A (0.47) MAPK8ALDH1A1CCNB2CCNE2CDK1
SCHEMBL10750541 0.68 PTPN11 (0.64) PTPN11MAPK1CYP2C9ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-01-29 US disclosed
EP-1932826-A1 METHOD FOR PRODUCING AMINOALCOHOL DERIVATIVE HAVING BIPHENYL GROUP Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 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-20090030218-A1 Method For Producing Aminoalcohol Derivative Having Biphenyl Group ALDH7A1, DDC, ADH5 PTPN11 3466/4885MAPK1 4175/4885IDO1 489/4885

“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.