SCHEMBL68955

SCHEMBL68955

CCOc1cc(C=C(C)C(=O)O)ccc1-c1cccc(NCC(=O)OC(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.49
MPL P40238 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CDK9 P50750 1/20 0.32
RECQL P46063 1/20 0.32
TOP2A P11388 1/20 0.32
PTPRC P08575 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK8 P45983 1/20 0.32
AKR1C3 P42330 1/20 0.32
PTGER2 P43116 1/20 0.32

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
SCHEMBL68954 1.00 CCNT1 (0.49) CCNT1MPLALDH1A1KDM4EPKM
SCHEMBL3697027 0.86 CCNT1 (0.49) CCNT1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL3697028 0.86 CCNT1 (0.49) CCNT1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL68953 0.84 CCNT1 (0.49) CCNT1ALDH1A1KDM4EKMT2ASMN1; SMN2
SCHEMBL5197226 0.81 CCNT1 (0.53) CCNT1ALDH1A1KMT2AMEN1PTPRC
SCHEMBL68286 0.79 CCNT1 (0.53) CCNT1PTPRCGAAPTGER2
SCHEMBL4361050 0.71 KDM4E (0.38) CCNT1ALDH1A1KDM4ESMN1; SMN2AKR1C3
SCHEMBL4361055 0.71 KDM4E (0.38) CCNT1ALDH1A1KDM4ESMN1; SMN2AKR1C3
SCHEMBL4221522 0.69 KMT2A (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL4221516 0.69 KMT2A (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 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 (3 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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA CCNT1 4281/4885MPL 1000/4885ALDH1A1 624/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CCNT1 4612/4885MPL 823/4885ALDH1A1 486/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CCNT1 4612/4885MPL 823/4885ALDH1A1 486/4885

“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.