SCHEMBL17211802

SCHEMBL17211802

C=C(/C=C\C(=C)[N+](=O)[O-])c1ccc2c(c1)CC/C(=C\C(=O)OCC)C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.34
▸ PKM P14618 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 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
SCHEMBL14137056 0.74 MAPT (0.42) ESR2PKMKMT2AMEN1NPC1
SCHEMBL14061699 0.74 MAPT (0.42) ESR2PKMKMT2AMEN1NPC1
SCHEMBL14137057 0.73 ESR2 (0.42) ESR2KMT2AMEN1HPGDNPSR1
SCHEMBL17200595 0.73 ESR2 (0.42) ESR2KMT2AMEN1HPGDNPSR1
SCHEMBL7131312 0.72 DRD2 (0.43) ESR2
SCHEMBL7076510 0.72 DRD2 (0.43) ESR2
SCHEMBL13221540 0.72 DRD2 (0.43) ESR2
SCHEMBL17211817 0.69 DGAT1 (0.35) MAPT
SCHEMBL17211807 0.69 ALDH1A1 (0.33) MAPT
SCHEMBL14761632 0.67 MTNR1A (0.43) ESR2KMT2AMEN1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 — — US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 — — 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 (1 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT ESR2 3206/4885PKM 3212/4885KMT2A 2014/4885

“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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