SCHEMBL6907848

SCHEMBL6907848

CCCCCCCCCC[C@H]1OC1(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
CYP1A2 P05177 2/20 0.32
SPHK1 Q9NYA1 4/20 0.32
SPHK2 Q9NRA0 3/20 0.32
POLB P06746 1/20 0.31
FASN P49327 1/20 0.31
GBA1 P04062 3/20 0.31

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
SCHEMBL6907857 1.00 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL9134037 0.90 ALDH1A1 (0.38) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL11199251 0.83 ALDH1A1 (0.39) ALDH1A1EPHX1TSHRGBA1
SCHEMBL6907971 0.76 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL6907966 0.76 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL9133975 0.76 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL9618602 0.76 ALDH1A1 (0.44) ALDH1A1EPHX1TSHRTHRBCYP1A2
SCHEMBL9517835 0.75 ALDH1A1 (0.32) ALDH1A1EPHX1TSHR
SCHEMBL8968579 0.74 ALDH1A1 (0.43) ALDH1A1EPHX1TSHRTHRBSPHK1
SCHEMBL9133960 0.73 ALDH1A1 (0.41) ALDH1A1EPHX1TSHRTHRBCYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686483-B2 REACTING AN OXIDIZER WITH AN OLEFIN IN PRESENCE OF KETONE COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-03 US disclosed
EP-1021426-B1 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2003-09-17 EP disclosed
US-20020133031-A1 Catalytic asymmetric epoxidation COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-09-19 US disclosed
US-6348608-B1 ADDING OXIDIZING AGENT TO REACTION SOLUTION COMPRISING CHIRAL CYCLIC ENANTIOMERICALLY ENRICHED KETONE AND OLEFIN UNDER CONDITIONS EFFECTIVE TO GENERATE ENANTIOMERICALLY ENRICHED EPOXIDE, SEPARATING EPOXIDE FROM REACTION SOLUTION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION 2002-02-19 US disclosed
EP-1021426-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2000-07-26 EP disclosed
EP-1021426-A4 CATALYTIC ASYMMETRIC EPOXIDATION UNIV COLORADO STATE RES FOUND (US) 2000-07-26 EP disclosed
WO-1998015544-A1 CATALYTIC ASYMMETRIC EPOXIDATION COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1998-04-16 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-20020133031-A1 Catalytic asymmetric epoxidation CBR1, AOX1, CBR3 ALDH1A1 133/4885EPHX1 29/4885TSHR 3442/4885

“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.