SCHEMBL31370752

SCHEMBL31370752

COc1ccc(-c2ccc3c(CCC(=O)O)c[nH]c3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 4/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTR2A P28223 1/20 0.53
POLB P06746 1/20 0.52
CDK4 P11802 2/20 0.52
CCND1 P24385 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HTR6 P50406 1/20 0.51
EGFR P00533 1/20 0.51
PDGFRB P09619 1/20 0.51
FGFR1 P11362 1/20 0.51
KDR P35968 1/20 0.51
TRPV1 Q8NER1 2/20 0.49
FAAH O00519 1/20 0.49
SCN9A Q15858 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL23226241 0.90 MTNR1A (0.67) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL20120174 0.85 GPR17 (0.56) MAPTCDK4CCND1EGFRPDGFRB
SCHEMBL18509541 0.82 IMPDH2 (0.52) CDK4CCND1SCN9AHPGDCYP2C19
SCHEMBL8694538 0.82 MTNR1A (0.64) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL3024961 0.82 KDM4E (0.75) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL15322315 0.80 HTR6 (0.52) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL31369866 0.80 SCN9A (0.66) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL4604830 0.80 CYP2C19 (0.51) KMT2AMEN1MAPTMTNR1AMTNR1B
SCHEMBL20119825 0.77 HTR2A (0.63) MAPTMTNR1AMTNR1BHTR2APOLB
SCHEMBL7415036 0.77 NPC1 (0.76) KMT2AMEN1MAPTMTNR1AMTNR1B

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 KMT2A 3415/4885MEN1 4354/4885MAPT 1809/4885

“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.