SCHEMBL7916613

SCHEMBL7916613

C=CC[C@H](COCCCC)OCC(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.33
LPAR1 Q92633 4/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32
USP2 O75604 1/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30
HTT P42858 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
SCHEMBL7929454 0.83
SCHEMBL14755325 0.81 PLA2G2C (0.35) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL2632269 0.81 PLA2G2C (0.35) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL13419618 0.79 PRKD3 (0.46) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL12391178 0.79
SCHEMBL8143953 0.78 TSHR (0.41) LPAR1LPAR3LPAR2USP2PRKD3
SCHEMBL17794227 0.77 PLA2G2C (0.36) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL17794223 0.75 PLA2G2C (0.37) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL28357447 0.75 TSHR (0.43) LPAR1LPAR3LPAR2USP2PRKD3
SCHEMBL15821116 0.74

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-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
WO-2016085780-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-06-02 WO disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
WO-2010038686-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE エーザイ・アール・アンド・ディー・マネジメント株式会社 (JP) 2010-04-08 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-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 PLA2G2C 1970/4885LPAR1 965/4885LPAR3 969/4885
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 PLA2G2C 1652/4885LPAR1 2074/4885LPAR3 3239/4885

“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.