SCHEMBL9472249

SCHEMBL9472249

O=C(Cl)c1ccc(C2(c3ccc(C(=O)Cl)cc3)CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.55
ESR2 Q92731 4/20 0.55
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADORA3 P0DMS8 1/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RXRA P19793 1/20 0.38
ACHE P22303 1/20 0.37
HSD11B1 P28845 6/20 0.37
HDAC4 P56524 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
PPARA Q07869 1/20 0.35
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL900808 0.82 ESR1 (0.57) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL9472582 0.82 ESR1 (0.57) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL29119959 0.81 ALDH1A1 (0.40) ESR1ESR2ALDH1A1ADORA3LMNA
SCHEMBL9472246 0.80 ESR1 (0.55) ESR1ESR2ALDH1A1L3MBTL1ADORA3
Cyclohexane SCHEMBL28345268 0.80 ALDH1A1 (0.52) ESR1ESR2ALDH1A1LMNAMAPT
SCHEMBL9471910 0.79 RXRA (0.56) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL29119934 0.78 ALDH1A1 (0.41) ALDH1A1MAPTRXRAHDAC4AKR1C1
SCHEMBL31712141 0.78 ESR1 (0.77) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL517000 0.78 ESR1 (0.77) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL11990115 0.78 ALOX15 (0.59) ESR1ESR2ALDH1A1L3MBTL1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187514-B1 POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORP (JP) 2020-07-29 EP disclosed
US-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER TOKUYAMA DENTAL CORPORATION (JP) 2019-10-03 US disclosed
EP-3187514-A1 POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER Tokuyama Dental Corporation (JP) 2017-07-05 EP disclosed
US-9529285-B2 Polycarbonate copolymer, and coating liquid and electrophotographic photosensitive body using same IDEMITSU KOSAN CO., LTD. (JP) 2016-12-27 US disclosed
US-9529285-B2 Polycarbonate copolymer, and coating liquid and electrophotographic photosensitive body using same IDEMITSU KOSAN CO., LTD. (JP) 2016-12-27 US disclosed
US-20140363760-A1 POLYCARBONATE COPOLYMER, AND COATING LIQUID AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-11 US disclosed
US-20140363760-A1 POLYCARBONATE COPOLYMER, AND COATING LIQUID AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-11 US disclosed
US-5183926-A Process for the preparation of aromatic dicarboxylic acids and aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1993-02-02 US disclosed
EP-0414062-A2 Process for preparing aromatic dicarboxylic acids and novel aromatic dicarboxylic acids BAYER AG (DE) 1991-02-27 EP 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-20190300472-A1 POLYMERIZABLE MONOMER, METHOD OF PRODUCING POLYMERIZABLE MONOMER, CURABLE COMPOSITION AND RESIN MEMBER CHRM1, CHRM2, H1-0 ESR1 797/4885ESR2 1354/4885ALDH1A1 1842/4885

“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.