SCHEMBL4211969

SCHEMBL4211969

CCCCOc1cc(/C=C(\C)C(=O)O)ccc1-c1cccc(CN(C)C(=O)c2ccc(OC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 6/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LIMK2 P53671 2/20 0.40
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
HSD17B1 P14061 1/20 0.39
PDK1 Q15118 2/20 0.38
PTPN11 Q06124 1/20 0.38
AOC3 Q16853 1/20 0.38

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
SCHEMBL4213898 0.94 HSD17B2 (0.46) HSD17B2MEN1KMT2APOLBHPGD
SCHEMBL4218392 0.93 MEN1 (0.42) HSD17B2MEN1KMT2AROCK2ROCK1
SCHEMBL13947715 0.84 MEN1 (0.41) HSD17B2MEN1KMT2AROCK2ROCK1
SCHEMBL4607036 0.83 GLS (0.37) NLRP3PTPN11AOC3
SCHEMBL4607033 0.83 GLS (0.37) NLRP3PTPN11AOC3
SCHEMBL4211967 0.83 MEN1 (0.37) MEN1KMT2APTPN11
SCHEMBL4211976 0.83 MEN1 (0.37) MEN1KMT2APTPN11
SCHEMBL4970090 0.82 FFAR1 (0.49) HSD17B2MEN1KMT2APOLBHPGD
SCHEMBL4969975 0.81 HSD17B2 (0.49) HSD17B2MEN1KMT2APOLBHPGD
SCHEMBL4211240 0.79 HTR7 (0.43) PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US claimed
US-20090042846-A1 Topical Delivery System for Phytosterols BIODERM RESEARCH (US) 2009-02-12 US claimed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US claimed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-7615546-B2 Skin disorders; acne; alopecia BIODERM RESEARCH (US) 2009-11-10 US disclosed
US-20090042846-A1 Topical Delivery System for Phytosterols BIODERM RESEARCH (US) 2009-02-12 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO disclosed
WO-2007049158-A2 PPAR MODULATING BIAROMATIC COMPOUNDS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-03 WO 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-20090042846-A1 Topical Delivery System for Phytosterols COL14A1, CYP27A1, CYP46A1 HSD17B2 25/4885MEN1 2536/4885KMT2A 874/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA HSD17B2 272/4885MEN1 4862/4885KMT2A 2532/4885

“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.