SCHEMBL12985138

SCHEMBL12985138

CCON(c1ccccc1-c1ccccc1)C(CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
KMT2A Q03164 2/20 0.39
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL12985477 0.86 KMT2A (0.41) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL12984922 0.78 TACR1 (0.45) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL12984870 0.76 MEN1 (0.50) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL12984378 0.70 ALDH1A1 (0.44) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL12983581 0.69 MEN1 (0.48) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL5281059 0.68 ALDH1A1 (0.38) KMT2AKDM4ELMNASMN1; SMN2MEN1
SCHEMBL8720338 0.68 TACR1 (0.57) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL5281056 0.68 ALDH1A1 (0.38) KMT2AKDM4ELMNASMN1; SMN2MEN1
SCHEMBL12983670 0.68 KMT2A (0.54) TACR1KMT2ASCN1ASCN2ASCN3A
SCHEMBL12984745 0.68 LMNA (0.41) KMT2AKDM4EPKMLMNASMN1; SMN2

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
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 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-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF TACR1 3019/4885KMT2A 1630/4885SCN1A 945/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF TACR1 3019/4885KMT2A 1630/4885SCN1A 945/4885

“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.