SCHEMBL13583285

SCHEMBL13583285

CCCc1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 3/20 0.36
KDR P35968 1/20 0.36
CYP26A1 O43174 2/20 0.36
KDM4E B2RXH2 2/20 0.36
KCNA5 P22460 1/20 0.35
MMP8 P22894 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
UTS2R Q9UKP6 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34

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
SCHEMBL13582980 0.93 S1PR2 (0.38) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL13583320 0.93 UTS2R (0.41) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL13822597 0.91 KMT2A (0.41) SMN1; SMN2KMT2AMEN1KCNA5
SCHEMBL13822309 0.87 THRB (0.46) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL2330698 0.87 CA2 (0.42) POLBKDRKCNA5HTT
SCHEMBL13822430 0.86 MEN1 (0.43) KMT2AMEN1NPC1POLBKCNA5
SCHEMBL13583688 0.86 HPGD (0.47) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL13822277 0.85 MEN1 (0.40) KMT2AMEN1KCNA5
SCHEMBL13583598 0.85 LMNA (0.46) SMN1; SMN2POLBHTTTAS1R3TAS1R1
SCHEMBL13583061 0.85 KDM4E (0.48) SMN1; SMN2KMT2AMEN1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 SMN1; SMN2 1368/4885KMT2A 1659/4885MEN1 1487/4885

“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.