SCHEMBL4969588

SCHEMBL4969588

CCCCCCCC(=O)N(C)Cc1cccc(-c2ccc(/C=C/C(=O)O)cc2OCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
KDM4E B2RXH2 4/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
ACHE P22303 2/20 0.43
PTPN11 Q06124 1/20 0.43
MEN1 O00255 1/20 0.42
TOP2A P11388 1/20 0.42
CNR2 P34972 1/20 0.42
AKR1C2 P52895 2/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL4969599 1.00 AKR1C3 (0.52) AKR1C3KDM4EKMT2AGAAPOLB
SCHEMBL5654914 0.93 KDM4E (0.55) AKR1C3KDM4ELMNAALDH1A1LTB4R
SCHEMBL5654907 0.93 KDM4E (0.55) AKR1C3KDM4ELMNAALDH1A1LTB4R
SCHEMBL5653570 0.86 AKR1C3 (0.43) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL5653574 0.86 AKR1C3 (0.43) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL4968634 0.86 AKR1C3 (0.49) AKR1C3KDM4EKMT2AGAAPOLB
SCHEMBL4968622 0.86 AKR1C3 (0.49) AKR1C3KDM4EKMT2AGAAPOLB
SCHEMBL4967940 0.84 RXRA (0.47) PTPN11
SCHEMBL4969994 0.84 RXRA (0.47) PTPN11
SCHEMBL4970394 0.83 AOC3 (0.52) KDM4EALDH1A1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781274-B1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-11-05 EP disclosed
US-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-06 US disclosed
EP-1781274-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018325-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE RECEPTORS OF PPAR TYPE AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 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 (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-20070207175-A1 Biaromatic compound activators of PPARgamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD AKR1C3 737/4885KDM4E 3918/4885KMT2A 3074/4885

“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.