SCHEMBL4123342

SCHEMBL4123342

CC[C@H](O)/C=C/C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 1/20 0.46
TSHR P16473 2/20 0.38
CMKLR1 Q99788 1/20 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
SCHEMBL4123346 1.00 GAPDH (0.46) GAPDHTSHRCMKLR1
SCHEMBL4123349 1.00 GAPDH (0.46) GAPDHTSHRCMKLR1
SCHEMBL11981259 1.00 GAPDH (0.46) GAPDHTSHRCMKLR1
SCHEMBL11960046 1.00 GAPDH (0.46) GAPDHTSHRCMKLR1
SCHEMBL3398848 0.76 GAPDH (0.60) GAPDHTSHRCMKLR1
SCHEMBL3398850 0.76 GAPDH (0.60) GAPDHTSHRCMKLR1
SCHEMBL11960044 0.75
SCHEMBL11981275 0.75
SCHEMBL4109549 0.75
SCHEMBL30958013 0.75 CYP3A4 (0.33) TSHR

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 GAPDH 1299/4885TSHR 3376/4885CMKLR1 1236/4885

“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.