SCHEMBL4950145

SCHEMBL4950145

CC1(C(=O)O)Cc2cc(Cl)ccc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.43
SRD5A2 P31213 3/20 0.43
BACE1 P56817 6/20 0.40
HSP90AA1 P07900 1/20 0.38
METAP1 P53582 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR1A P08908 2/20 0.37
DRD4 P21917 2/20 0.37
HTR7 P34969 2/20 0.37
DGAT1 O75907 1/20 0.36
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PPOX P50336 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL9141221 0.84 SMN1; SMN2 (0.53) SRD5A1SRD5A2BACE1METAP1SMN1; SMN2
SCHEMBL5612010 0.82 KDM4E (0.40) METAP1SMN1; SMN2ALDH1A1
SCHEMBL2947059 0.81 SRD5A1 (0.45) SRD5A1SRD5A2BACE1HSP90AA1METAP1
SCHEMBL2941707 0.81 SRD5A1 (0.45) SRD5A1SRD5A2BACE1HSP90AA1METAP1
SCHEMBL27236999 0.80 OPRM1 (0.41) SMN1; SMN2HTR2AALDH1A1TP53HTR2B
SCHEMBL29597471 0.79 SMN1; SMN2 (0.61) METAP1SMN1; SMN2ALDH1A1
SCHEMBL27188918 0.79 SMN1; SMN2 (0.61) METAP1SMN1; SMN2ALDH1A1
SCHEMBL29405349 0.79 METAP1 (0.41) SRD5A1SRD5A2BACE1METAP1DRD2
SCHEMBL29448019 0.78 METAP1 (0.43) SRD5A1SRD5A2METAP1DRD2HTR2A
SCHEMBL14430319 0.78 METAP1 (0.43) SRD5A1SRD5A2METAP1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414157-B2 Hydroxylation of β-dicarbonyls with zirconium catalysts E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-19 US disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY 2006-01-19 US disclosed
EP-0567138-A2 Hydrazone derivatives, process for producing the same, insecticides and/or acaricides containing the same as active ingredient and intermediate compounds thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1993-10-27 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-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts ALDH3A1, NQO1, DERA SRD5A1 737/4885SRD5A2 765/4885BACE1 2364/4885

“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.