SCHEMBL11960074

SCHEMBL11960074

CC1(C)OC1C(O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.40
TSHR P16473 1/20 0.39
ANPEP P15144 2/20 0.38
ERAP1 Q9NZ08 2/20 0.38
ERAP2 Q6P179 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACP3 P15309 1/20 0.37

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
SCHEMBL11960028 1.00 HSD17B2 (0.42) HSD17B2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11981354 1.00 HSD17B2 (0.42) HSD17B2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL9699771 0.72 SIGMAR1 (0.37) SLC6A3CYP3A4SMN1; SMN2
SCHEMBL3617978 0.71 TDP1 (0.43) HSD17B2SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL11390977 0.71 HSD17B2 (0.49) HSD17B2CYP3A4CYP2D6TSHRANPEP
SCHEMBL598212 0.70 TDP1 (0.55) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL11960023 0.69 CYP2C19 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL11960071 0.69 CYP2C19 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL8884794 0.69 TDP1 (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL109557 0.69 TSHR (0.53) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6

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 HSD17B2 145/4885SLC6A2 2212/4885SLC6A4 2988/4885

“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.