SCHEMBL16254136

SCHEMBL16254136

CCCCO[C@H]1C=C[C@H]1OCCCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.43
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LTA4H P09960 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL14209963 0.85 GBA1 (0.52) GBA1ADRB2ADRB1ADRB3PPARG
SCHEMBL13226121 0.79 GBA1 (0.46) GBA1PPARGPPARDPPARATSHR
SCHEMBL6518428 0.78 GBA1 (0.43) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL13744808 0.76 GBA1 (0.46) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL16977020 0.75 GBA1 (0.34) GBA1ADRB2ADRB1ADRB3PPARG
SCHEMBL11790150 0.74 GBA1 (0.50) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL22738801 0.73 GBA1 (0.30) GBA1
SCHEMBL16254169 0.70 GBA1 (0.42) GBA1ADRB2ADRB1ADRB3TSHR
SCHEMBL16254144 0.70
SCHEMBL6519982 0.70 GBA1 (0.52) GBA1TSHRCYP3A4ALDH1A1CA1

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 6 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-2014201300-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2014-12-18 WO disclosed
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS TRUSTEES OF BOSTON COLLEGE 2014-12-18 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 (3 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 GBA1 3130/4885ADRB2 850/4885ADRB1 1113/4885
US-20140371454-A1 CATALYSTS FOR EFFICIENT Z-SELECTIVE METATHESIS ADH5, ADH1A, ADH1C GBA1 2478/4885ADRB2 758/4885ADRB1 821/4885
US-20160185684-A1 SELECTIVE OLEFIN METATHESIS WITH CYCLOMETALATED RUTHENIUM COMPLEXES ZDHHC7, COASY, ZDHHC2 GBA1 1335/4885ADRB2 986/4885ADRB1 1291/4885

“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.