SCHEMBL16254145

SCHEMBL16254145

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
TSHR P16473 5/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
PRKCA P17252 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
SCHEMBL16254142 0.82 HPGD (0.38) ALDH1A1TSHRHPGDATM
SCHEMBL17682184 0.80 TSHR (0.31) TSHRHPGD
SCHEMBL17682248 0.80 HPGD (0.36) ALDH1A1TSHRHPGDATMUSP2
SCHEMBL16254156 0.80 LMNA (0.46) ALDH1A1TSHRHPGDLMNACYP3A4
SCHEMBL17682243 0.79 ALDH1A1 (0.35) ALDH1A1TSHRHPGD
SCHEMBL13454204 0.75 LMNA (0.36) ALDH1A1TSHRUSP2LMNACYP3A4
SCHEMBL16254138 0.75 HPGD (0.32) TSHRHPGD
SCHEMBL5514589 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHPGDATMUSP2
SCHEMBL17679369 0.73 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHCAR2
SCHEMBL16309384 0.73 HPGD (0.33) TSHRHPGD

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 4 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
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 (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 ALDH1A1 2483/4885TSHR 3394/4885HPGD 3713/4885
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES ZDHHC7, COASY, ZDHHC2 ALDH1A1 3001/4885TSHR 4341/4885HPGD 2963/4885

“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.