SCHEMBL11960067

SCHEMBL11960067

CC(C)=CC(O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
ACHE P22303 3/20 0.40
CHRNA7 P36544 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX5 P09917 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 3/20 0.32
PKM P14618 2/20 0.32
HTT P42858 2/20 0.32
ATM Q13315 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HPGD P15428 1/20 0.32
NLRP1 Q9C000 1/20 0.32
GAA P10253 1/20 0.32
NTSR1 P30989 1/20 0.32

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
SCHEMBL800185 0.80 AOC3 (0.40)
SCHEMBL11960068 0.80 TSHR (0.46) TDP1LMNAHTTHPGDGAA
SCHEMBL4641824 0.79 TRPA1 (0.44) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL800467 0.77 ALDH1A1 (0.40) ALDH1A1
SCHEMBL17844421 0.77 TRPV1 (0.47) CYP3A4MEN1KMT2AALDH1A1MAPT
SCHEMBL4905102 0.74 ORAI1 (0.42) STAT3ACHECHRNA7CYP3A4CYP2C9
SCHEMBL2356074 0.74 CYP2A6 (0.42) STAT3ACHECHRNA7CYP3A4CYP2C9
SCHEMBL31303664 0.73 ATM (0.53) STAT3ACHECHRNA7CYP3A4CYP2C9
SCHEMBL6113339 0.72 STAT3 (0.50) STAT3ACHECHRNA7CYP3A4CYP2C9
SCHEMBL6113147 0.72 STAT3 (0.50) STAT3ACHECHRNA7CYP3A4CYP2C9

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-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-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
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 STAT3 3647/4885ACHE 2139/4885CHRNA7 3020/4885

“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.