SCHEMBL16254142

SCHEMBL16254142

C=C[C@H](OCCCC)[C@@H](/C=C\CC(C)=O)OCCCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33
CES2 O00748 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL17682248 0.85 HPGD (0.36) HPGDTSHRALDH1A1ATM
SCHEMBL16254145 0.82 ALDH1A1 (0.43) HPGDTSHRALDH1A1ATM
SCHEMBL17682243 0.81 ALDH1A1 (0.35) HPGDTSHRALDH1A1
SCHEMBL16254138 0.77 HPGD (0.32) HPGDTSHR
SCHEMBL17682184 0.76 TSHR (0.31) HPGDTSHR
SCHEMBL16309384 0.75 HPGD (0.33) HPGDTSHR
SCHEMBL16254156 0.72 LMNA (0.46) HPGDTSHRALDH1A1
SCHEMBL16309643 0.70 HPGD (0.30) HPGDTSHR
SCHEMBL16309645 0.70 KCNH2 (0.38) HPGDTSHRALDH1A1CA1CA2
SCHEMBL1357811 0.70 TSHR (0.38) HPGDTSHRALDH1A1ATM

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-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-04-14 US disclosed
WO-2014186631-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-11-20 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-20160101414-A1 HIGHLY Z-SELECTIVE AND ENANTIOSELECTIVE RING OPENING/CROSS METATHESIS CATALYZED BY A RESOLVED STEREOGENIC-AT-RU COMPLEX ZFR, ZDHHC7, ORC3 HPGD 3713/4885TSHR 3394/4885ALDH1A1 2483/4885

“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.