SCHEMBL4694229

SCHEMBL4694229

N#CC(CC=O)c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.58
ESR2 Q92731 14/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ACHE P22303 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CHRM1 P11229 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL18386353 0.81 CCR1 (0.38) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL5879161 0.81 ESR1 (0.37) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL11149256 0.81 ESR1 (0.58) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL988872 0.81 TRPA1 (0.42) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL16812986 0.79 ESR1 (0.60) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL10600837 0.75 ESR1 (0.63) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL7099557 0.75 ESR1 (0.63) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL434696 0.74 ESR1 (0.58) ESR1ESR2ALDH1A1CYP1A2CYP3A4
SCHEMBL29043856 0.74 ESR1 (0.44) ESR1ESR2ALDH1A1CYP1A2CYP3A4
Diarylpropionitrile SCHEMBL1940848 0.73 ESR2 (1.00) ESR1ESR2ALDH1A1CYP1A2CYP3A4

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
WO-2013057743-A1 PROCESS FOR THE PREPARATION OF AN ARYL OXIME AND SALTS THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD (IN) 2013-04-25 WO disclosed
EP-1419160-B1 METHOD FOR THE PRODUCTION OF 6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YLACETIC ACID MERCKLE GMBH (DE) 2008-12-10 EP disclosed
CN-1266152-C Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid MERCKLE GMBH (DE) 2006-07-26 CN disclosed
US-7078535-B2 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid MERCKLE GMBH (DE) 2006-07-18 US disclosed
US-20040236117-A1 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid MERCKLE GMBH (DE) 2004-11-25 US disclosed
CN-1545516-A Process for producing 6- (4-chlorophenyl) -2, 2-dimethyl-7-phenyl-2, 3-dihydro-1H-pyrrolizin-5-ylacetic acid ��Ĭ���� 2004-11-10 CN 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-20040236117-A1 Method for the production of 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-ylacetic acid KMO, HPD, PDK4 ESR1 2805/4885ESR2 1873/4885ALDH1A1 472/4885

“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.