SCHEMBL11960027

SCHEMBL11960027

CC1(C)OC1[C@H](O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ PRMT5 O14744 3/20 0.40
▸ WDR77 Q9BQA1 3/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ MAPK1 P28482 3/20 0.37
▸ HSD17B2 P37059 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11981272 1.00 BRD4 (0.41) BRD4PRMT5WDR77ADRB2AOC3
SCHEMBL11960075 1.00 BRD4 (0.41) BRD4PRMT5WDR77ADRB2AOC3
SCHEMBL11960029 0.84 SLC6A3 (0.38) PRMT5WDR77HSD17B2TDP1
SCHEMBL11960076 0.84 SLC6A3 (0.38) PRMT5WDR77HSD17B2TDP1
SCHEMBL11981351 0.84 SLC6A3 (0.38) PRMT5WDR77HSD17B2TDP1
SCHEMBL22663510 0.76 PRMT5 (0.51) BRD4PRMT5WDR77ADRB2AOC3
SCHEMBL29601614 0.76 PRMT5 (0.41) BRD4PRMT5WDR77MAPK1HSD17B2
SCHEMBL1349046 0.68 FPR2 (0.45) ADRB2AOC3MAPK1HSD17B2TSHR
SCHEMBL11960070 0.68 BRD4 (0.46) BRD4ADRB2AOC3MAPK1TSHR
SCHEMBL11981268 0.68 BRD4 (0.41) BRD4ADRB2AOC3MAPK1TSHR

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 BRD4 746/4885PRMT5 1363/4885WDR77 4420/4885

“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.

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