SCHEMBL4115448

SCHEMBL4115448

CC(C)(C)/C=C/[C@H](O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
SLC6A4 P31645 3/20 0.41
AOC3 Q16853 1/20 0.41
LMNA P02545 4/20 0.40
ATM Q13315 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2C P18825 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ADRA2A P08913 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.37
CHRM2 P08172 1/20 0.36
ADRA1A P35348 1/20 0.36
RGS12 O14924 1/20 0.36
GLA P06280 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
SCHEMBL4115450 1.00 RIPK1 (0.47) RIPK1SLC6A4AOC3LMNAATM
SCHEMBL11981324 1.00 RIPK1 (0.47) RIPK1SLC6A4AOC3LMNAATM
SCHEMBL9656453 0.81 LMNA (0.46) LMNAATMMEN1KMT2AADRA2C
SCHEMBL9656438 0.81 LMNA (0.46) LMNAATMMEN1KMT2AADRA2C
SCHEMBL4115342 0.81 CHRNA7 (0.35) LMNAATMMEN1KMT2AALDH1A1
SCHEMBL11960043 0.81 CHRNA7 (0.35) LMNAATMMEN1KMT2AALDH1A1
SCHEMBL11981276 0.81 CHRNA7 (0.35) LMNAATMMEN1KMT2AALDH1A1
SCHEMBL5177575 0.80 LMNA (0.46) RIPK1SLC6A4AOC3LMNASLC6A2
SCHEMBL4121060 0.79 AOC3 (0.38) AOC3LMNAATMMEN1KMT2A
SCHEMBL11981277 0.79 AOC3 (0.38) AOC3LMNAATMMEN1KMT2A

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 5 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
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 RIPK1 3254/4885SLC6A4 2988/4885AOC3 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.