SCHEMBL4104447

SCHEMBL4104447

C=C(C)[C@H](O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 1/20 0.41
CHRNA7 P36544 1/20 0.39
ACHE P22303 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
STAT3 P40763 1/20 0.35
ALOX5 P09917 1/20 0.34
MLKL Q8NB16 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL2242532 1.00 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19HPGDCHRNA7
SCHEMBL27639167 0.81 HPGD (0.41) CYP2C9HPGDMAPTMEN1KMT2A
SCHEMBL11960063 0.79 BRD4 (0.45) HPGDTDP1MAPTMEN1KMT2A
SCHEMBL21199705 0.79 AOC3 (0.41) HPGDACHEMAPTMEN1KMT2A
SCHEMBL22930411 0.79 HPGD (0.39) CYP3A4HPGDACHETDP1MAPT
SCHEMBL5510714 0.79 MAPT (0.48) CYP3A4CYP2C9CYP2C19HPGDMAPT
SCHEMBL4108152 0.79 BRD4 (0.45) HPGDTDP1MAPTMEN1KMT2A
SCHEMBL13849535 0.78 HPGD (0.63) CYP3A4CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL2249346 0.78 HPGD (0.63) CYP3A4CYP2C9CYP2C19HPGDALDH1A1
SCHEMBL12468637 0.78 HPGD (0.63) CYP3A4CYP2C9CYP2C19HPGDALDH1A1

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 CYP3A4 106/4885CYP2C9 160/4885CYP2C19 117/4885

“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.