SCHEMBL4115342

SCHEMBL4115342

Cc1ccc([C@@H](O)C=CC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ATM Q13315 3/20 0.34
ACHE P22303 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
STAT3 P40763 1/20 0.33
GAA P10253 1/20 0.32
ALOX5 P09917 1/20 0.32
ELANE P08246 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 2/20 0.30
PKM P14618 2/20 0.30

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
SCHEMBL11981276 1.00 CHRNA7 (0.35) CHRNA7CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11960043 1.00 CHRNA7 (0.35) CHRNA7CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL11981277 0.82 AOC3 (0.38) TSHRMEN1KMT2AATMTDP1
SCHEMBL4121057 0.82 AOC3 (0.38) TSHRMEN1KMT2AATMTDP1
SCHEMBL4121060 0.82 AOC3 (0.38) TSHRMEN1KMT2AATMTDP1
SCHEMBL11981324 0.81 RIPK1 (0.47) CYP3A4CYP2C9CYP2C19TSHRMEN1
SCHEMBL4115448 0.81 RIPK1 (0.47) CYP3A4CYP2C9CYP2C19TSHRMEN1
SCHEMBL4115450 0.81 RIPK1 (0.47) CYP3A4CYP2C9CYP2C19TSHRMEN1
SCHEMBL11981271 0.79 CES2 (0.43)
SCHEMBL4124879 0.79 CES2 (0.43)

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 2 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

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 CHRNA7 3020/4885CYP3A4 106/4885CYP2C9 160/4885

“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.