SCHEMBL17682248

SCHEMBL17682248

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
PTGS1 P23219 2/20 0.32
PPARG P37231 1/20 0.32
OPRK1 P41145 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
ATM Q13315 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
CNR2 P34972 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CNR1 P21554 2/20 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
SCHEMBL16254142 0.85 HPGD (0.38) HPGDTSHRALDH1A1ATM
SCHEMBL16254145 0.80 ALDH1A1 (0.43) HPGDTSHRCYP3A4MAPTUSP2
SCHEMBL17682243 0.79 ALDH1A1 (0.35) HPGDTSHRALDH1A1PTGS1PPARG
SCHEMBL16254138 0.75 HPGD (0.32) HPGDTSHRPTGS1PPARGOPRK1
SCHEMBL17682184 0.74 TSHR (0.31) HPGDTSHR
SCHEMBL16309384 0.73 HPGD (0.33) HPGDTSHR
SCHEMBL16254156 0.70 LMNA (0.46) HPGDTSHRCYP3A4MAPTLMNA
SCHEMBL15861026 0.70 ALDH1A1 (0.37) HPGDTSHRALDH1A1ATM
SCHEMBL12197494 0.68 ALDH1A1 (0.41) HPGDTSHRCYP3A4MAPTUSP2
SCHEMBL16309643 0.68 HPGD (0.30) HPGDTSHR

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-9676676-B2 Selective olefin metathesis with cyclometalated ruthenium complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-06-13 US disclosed
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3394/4885CYP3A4 47/4885
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES ZDHHC7, COASY, ZDHHC2 HPGD 2963/4885TSHR 4341/4885CYP3A4 47/4885

“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.