SCHEMBL20545295

SCHEMBL20545295

Cc1ccc(C=O)cc1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.42
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNA3 P22001 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
BRD4 O60885 1/20 0.37
PTGER4 P35408 1/20 0.37
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
NR3C2 P08235 1/20 0.36
AR P10275 1/20 0.36
TDO2 P48775 1/20 0.36
GAA P10253 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL30541268 1.00 ESR2 (0.42) ESR2ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL13038063 0.87 ESR2 (0.42) ESR2ALDH1A1KCNA3HSD17B10CA12
SCHEMBL16709388 0.83 S1PR4 (0.41) ALDH1A1KCNA3CA12CA9BRD4
SCHEMBL26126461 0.83 ALDH1A1 (0.50) ALDH1A1HSD17B10TDO2GAAMAOA
SCHEMBL2324277 0.81 ALDH1A1 (0.43) ESR2ALDH1A1BRD4MEN1KMT2A
SCHEMBL16574007 0.81 ESR2 (0.52) ESR2ALDH1A1KCNA3TDO2GAA
SCHEMBL29405127 0.80 PDE4D (0.52) ALDH1A1
SCHEMBL13578465 0.80 PDE4D (0.52) ALDH1A1
SCHEMBL30679643 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10TDO2GAAMEN1
SCHEMBL278200 0.78 ESR2 (0.49) ESR2ALDH1A1KCNA3TDO2GAA

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
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 CN disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US disclosed
CN-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 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-20180312523-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGB3, ITGA1, ITGB5 ESR2 971/4885ADRB2 78/4885ADRB1 50/4885
US-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 ESR2 971/4885ADRB2 78/4885ADRB1 50/4885

“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.