SCHEMBL4108152

SCHEMBL4108152

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
ADRB2 P07550 1/20 0.43
AOC3 Q16853 1/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
HIF1A Q16665 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
FFAR2 O15552 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL11960063 1.00 BRD4 (0.45) BRD4ADRB2AOC3HPGDTSHR
SCHEMBL27639167 0.84 HPGD (0.41) HPGDMAPK1HIF1ALMNAMEN1
SCHEMBL2242532 0.79 CYP3A4 (0.47) HPGDTDP1LMNAMEN1MAPT
SCHEMBL4104447 0.79 CYP3A4 (0.47) HPGDTDP1LMNAMEN1MAPT
SCHEMBL13170113 0.77 BRD4 (0.61) BRD4ADRB2AOC3HPGDTSHR
SCHEMBL21199705 0.77 AOC3 (0.41) AOC3HPGDMEN1MAPTKMT2A
SCHEMBL5510714 0.77 MAPT (0.48) HPGDMAPK1MEN1MAPTKMT2A
SCHEMBL22930411 0.77 HPGD (0.39) HPGDTSHRMAPK1HIF1ATDP1
SCHEMBL30367267 0.77 SLC6A2 (0.41) LMNASMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL13849535 0.76 HPGD (0.63) HPGDTSHRMAPK1HIF1ALMNA

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 BRD4 746/4885ADRB2 789/4885AOC3 49/4885

“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.