SCHEMBL3752209

SCHEMBL3752209

O=C(O)C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 2/20 0.60
PKM P14618 1/20 0.60
MAOB P27338 3/20 0.59
MAOA P21397 2/20 0.59
MAPK1 P28482 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCNB1 P14635 1/20 0.54
CCND1 P24385 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
LCK P06239 1/20 0.53
NR4A2 P43354 1/20 0.52
PTPN1 P18031 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL2933539 1.00 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL3967800 0.89 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL3967797 0.89 KDM4E (0.56) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL3550677 0.87 KDM4E (0.60) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL3550674 0.87 KDM4E (0.60) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2930463 0.86 NR1H4 (0.59) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2930460 0.86 NR1H4 (0.59) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2930457 0.86 NR1H4 (0.59) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2496164 0.81 ALDH1A1 (0.63) MEN1KMT2AALDH1A1KDM4EPKM
SCHEMBL2496166 0.81 ALDH1A1 (0.63) MEN1KMT2AALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD (CA) 2010-11-25 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-20100298347-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY GPR119, GPR52, GPR35 MEN1 4181/4885KMT2A 3592/4885ALDH1A1 2522/4885

“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.