SCHEMBL4108154

SCHEMBL4108154

C=CC(O)c1cccc(Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
NFKB1 P19838 2/20 0.36
PNMT P11086 1/20 0.36
CASP1 P29466 1/20 0.36
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 2/20 0.35
HIF1A Q16665 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MT-CO2 P00403 1/20 0.35
TTR P02766 1/20 0.35
PLA2G1B P04054 1/20 0.35
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL16958733 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL11672242 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2D6NFKB1CASP1
SCHEMBL4445241 0.79 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL15771491 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL6119421 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL24569288 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL18567934 0.73 CYP1A2 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL7594286 0.73 ALDH1A1 (0.39) ALDH1A1MEN1CYP2C19KMT2A
SCHEMBL16954732 0.72 CYP1A2 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9875235 0.72 ESR1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236976-B2 Processes for highly enantio- and diastereoselective synthesis of acyclic epoxy alcohols and allylic epoxy alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-08-07 US disclosed
US-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-06-25 US disclosed
WO-2005087755-A1 PROCESSES FOR HIGHLY ENANTIO-AND DIASTEREOSELECTIVE SYNTHESIS OF ACYCLIC EPOXY ALCOHOLS AND ALLYLIC EPOXY ALCOHOLS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-09-22 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 (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-20090163728-A1 Processes for Highly Enantio- and Diastereoselective Synthesis of Acyclic Epoxy Alcohols and Allylic Epoxy Alcohols ADH1C, ADH1A, ADH5 ALDH1A1 20/4885CYP1A2 27/4885CYP3A4 106/4885

“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.