SCHEMBL9830741

SCHEMBL9830741

O=C(NC(CO)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
PLK1 P53350 1/20 0.53
HPGD P15428 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CTSB P07858 2/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
ELANE P08246 2/20 0.48
CAPN1 P07384 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47

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
SCHEMBL9830733 1.00 MMP3 (0.54) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL18067781 0.87 PLK1 (0.55) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL9828917 0.87 MMP3 (0.53) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL18067787 0.87 PLK1 (0.55) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL9828925 0.87 MMP3 (0.53) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL18067772 0.87 PLK1 (0.55) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL2330556 0.86 MMP3 (0.49) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL10659462 0.86 MMP3 (0.49) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL4797956 0.85 HRH4 (0.58) MMP3HDAC8PLK1HPGDALDH1A1
SCHEMBL9716712 0.85 ELANE (0.64) CTSBCTSVCTSLCTSSELANE

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 9 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
CN-102711720-B Pigmentation preventing or improving agent POLA CHEM IND INC 2014-08-27 CN 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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP 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 MMP3 2245/4885HDAC8 522/4885PLK1 3605/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF MMP3 2245/4885HDAC8 522/4885PLK1 3605/4885

“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.