SCHEMBL4118323

SCHEMBL4118323

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 6/20 0.52
SPHK1 Q9NYA1 6/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
CETP P11597 4/20 0.52
MAPK1 P28482 3/20 0.52
CYP2D6 P10635 3/20 0.52
THRB P10828 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GMNN O75496 2/20 0.52
LMNA P02545 2/20 0.52
GLA P06280 2/20 0.52
POLB P06746 2/20 0.52
CXCR5 P32302 2/20 0.52
CCR6 P51684 2/20 0.52
BLM P54132 2/20 0.52
UBE2N P61088 2/20 0.52
TP53 P04637 2/20 0.52
CYP1A2 P05177 2/20 0.52

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
SCHEMBL4062277 1.00 SPHK2 (0.52) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL4118327 1.00 SPHK2 (0.52) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL11981278 1.00 SPHK2 (0.52) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL11960050 1.00 SPHK2 (0.52) SPHK2SPHK1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11767806 0.91 SPHK2 (0.58) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL10699276 0.91 SPHK2 (0.62) SPHK2SPHK1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL11767811 0.91 SPHK2 (0.58) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL17703964 0.91 SPHK2 (0.62) SPHK2SPHK1MEN1KMT2AMAPT
SCHEMBL10699279 0.91 SPHK2 (0.62) SPHK2SPHK1MEN1KMT2AMAPT
Acetic Acid SCHEMBL10698331 0.83 MAPT (0.57) SPHK2SPHK1MEN1KMT2AMAPT

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 SPHK2 572/4885SPHK1 803/4885MEN1 1941/4885

“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.