SCHEMBL4463151

SCHEMBL4463151

CCCCc1c(-c2ccc(-c3ccc(OCC(=O)O)cc3)cc2)cn2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
PTPN1 P18031 4/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 4/20 0.47
HPGD P15428 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL4462123 0.90 HRH3 (0.52) HRH3KDM4EALDH1A1GAAPOLB
SCHEMBL6510445 0.84 KDM4E (0.50) HRH3KDM4EALDH1A1GAAPOLB
SCHEMBL4267572 0.83 GAA (0.50) HRH3PTPN1KDM4EALDH1A1GAA
SCHEMBL4261577 0.82 PTPN1 (0.52) HRH3PTPN1KDM4EALDH1A1GAA
SCHEMBL4275272 0.80 PPARA (0.59) PTPN1
SCHEMBL4263431 0.79 PPARA (0.51) HRH3PTPN1KDM4EALDH1A1GAA
SCHEMBL4471034 0.77 LTB4R2 (0.43) HRH3KDM4EALDH1A1GAAMEN1
SCHEMBL4467616 0.77 PTPN1 (0.49) HRH3PTPN1KDM4EALDH1A1GAA
SCHEMBL5793301 0.77 HDAC6 (0.46) HRH3KDM4EALDH1A1GAAPOLB
SCHEMBL4261656 0.76 KDM4E (0.42) HRH3KDM4EALDH1A1GAAPOLB

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-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 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 (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-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO HRH3 4633/4885PTPN1 18/4885KDM4E 1082/4885

“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.