SCHEMBL2016293

SCHEMBL2016293

CCCCCCCCCCCCCCCCCCCCCCOc1cc(CCl)cc(OCCCCCCCCCCCCCCCCCCCCCC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.54
▸ BLM P54132 1/20 0.47
▸ NR5A1 Q13285 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ CNR1 P21554 7/20 0.44
▸ CNR2 P34972 6/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ GGPS1 O95749 1/20 0.42

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
SCHEMBL5088808 1.00 PLA2G2A (0.54) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL5086807 1.00 PLA2G2A (0.54) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL5095096 1.00 PLA2G2A (0.54) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL5086925 1.00 PLA2G2A (0.54) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL17407552 0.94 PLA2G2A (0.47) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL16440321 0.92 PLA2G2A (0.44) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL13309593 0.88 LTA4H (0.42) PLA2G2ANR5A1TSHRNPC1RAB9A
SCHEMBL9016884 0.85 PLA2G2A (0.68) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL18886699 0.85 PLA2G2A (0.68) PLA2G2ABLMNR5A1TSHRCNR1
SCHEMBL5095901 0.85 PLA2G2A (0.59) PLA2G2ABLMNR5A1TSHRCNR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206230-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2015-12-08 — — US disclosed
US-20140371424-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2014-12-18 — — US disclosed
US-8859732-B2 Benzylic compound AJINOMOTO CO., INC. (JP) 2014-10-14 — — US disclosed
EP-2518041-A1 BENZYL COMPOUND Ajinomoto Co., Inc. (JP) 2012-10-31 — — EP disclosed
US-20110160433-A1 BENZYLIC COMPOUND AJINOMOTO CO., INC. (JP) 2011-06-30 — — 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-20110160433-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN PLA2G2A 4444/4885BLM 2833/4885NR5A1 1975/4885
US-20140371424-A1 BENZYLIC COMPOUND VIP, NGLY1, FURIN PLA2G2A 4444/4885BLM 2833/4885NR5A1 1975/4885

“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.

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