SCHEMBL2808621

SCHEMBL2808621

O=C1CCc2cccc(C(=O)O)c2CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HSP90AA1 P07900 2/20 0.37
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
TSHR P16473 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CXCR5 P32302 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ALB P02768 1/20 0.33
G6PD P11413 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33

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
SCHEMBL2806830 0.87 TRPA1 (0.42) TRPA1PARP1ALDH1A1ALOX15HSP90AA1
SCHEMBL29950657 0.78 ALDH1A1 (0.50) TRPA1ALDH1A1ALOX15HSP90AA1GFER
SCHEMBL15330692 0.78 ALDH1A1 (0.50) TRPA1ALDH1A1ALOX15HSP90AA1GFER
SCHEMBL21818394 0.76 PARP1 (0.45) TRPA1PARP1ALDH1A1ALOX15HSP90AA1
SCHEMBL21119025 0.75 ALDH1A1 (0.43) TRPA1ALDH1A1ALOX15HSP90AA1TSHR
SCHEMBL2806159 0.75 PARP1 (0.44) PARP1ALDH1A1ALOX15GFERTSHR
SCHEMBL5449123 0.74 ALDH1A1 (0.44) PARP1ALDH1A1ALOX15HSP90AA1L3MBTL1
SCHEMBL21818680 0.71 PARP1 (0.40) TRPA1PARP1ALDH1A1ALOX15HSP90AA1
SCHEMBL29493191 0.71 CXCR5 (0.56) TRPA1ALDH1A1ALOX15GFERL3MBTL1
SCHEMBL783869 0.71 CXCR5 (0.56) TRPA1ALDH1A1ALOX15GFERL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US disclosed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US disclosed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US disclosed
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION L'OREAL (FR) 2009-01-29 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-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 TRPA1 806/4885PARP1 1382/4885ALDH1A1 1901/4885
US-20090028807-A1 COMPOSITION COMPRISING A POLYCONDENSATE, METHOD OF TREATMENT, POLYCONDENSATE, AND METHOD OF PREPARATION CUTA, SYMPK, TPRKB TRPA1 1958/4885PARP1 784/4885ALDH1A1 4765/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA TRPA1 436/4885PARP1 1688/4885ALDH1A1 1510/4885

“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.