SCHEMBL68953

SCHEMBL68953

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.49
FDPS P14324 2/20 0.41
TOP2A P11388 6/20 0.39
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
APP P05067 2/20 0.38
TTR P02766 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL3697028 0.92 CCNT1 (0.49) CCNT1TOP2AKDM4EMAPTALDH1A1
SCHEMBL3697027 0.92 CCNT1 (0.49) CCNT1TOP2AKDM4EMAPTALDH1A1
SCHEMBL68955 0.84 CCNT1 (0.49) CCNT1TOP2AKDM4EMAPTALDH1A1
SCHEMBL68954 0.84 CCNT1 (0.49) CCNT1TOP2AKDM4EMAPTALDH1A1
SCHEMBL68286 0.81 CCNT1 (0.53) CCNT1GAA
SCHEMBL5197226 0.81 CCNT1 (0.53) CCNT1MAPTALDH1A1KMT2AGAA
SCHEMBL68120 0.78 CA12 (0.44) CCNT1FDPSKDM4ETTRNPC1
SCHEMBL6431894 0.70 CA12 (0.47) CCNT1FDPSKDM4EMAPTALDH1A1
SCHEMBL5349276 0.70 FDPS (0.72) FDPSTOP2AKDM4EMAPTALDH1A1
SCHEMBL5349280 0.70 FDPS (0.72) FDPSTOP2AKDM4EMAPTALDH1A1

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 4281/4885FDPS 2904/4885TOP2A 3282/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CCNT1 4612/4885FDPS 2702/4885TOP2A 3659/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA CCNT1 4612/4885FDPS 2702/4885TOP2A 3659/4885

“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.