SCHEMBL1313381

SCHEMBL1313381

O=C(O)/C=C(/Nc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.52
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
CDK9 P50750 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
TGM2 P21980 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
EGFR P00533 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44

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
SCHEMBL1313384 1.00 EPHX2 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL6251503 1.00 EPHX2 (0.52) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL10875104 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL10876998 0.82 MEN1 (0.55) TP53EPHX1TSHRSMN1; SMN2TGM2
SCHEMBL10875107 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL8127012 0.82 ALDH1A1 (0.50) SMN1; SMN2TGM2EGFRMMP1MMP2
SCHEMBL10012320 0.82 NPC1 (0.51) EPHX2EPHX1TSHRSMN1; SMN2EGFR
SCHEMBL10876989 0.82 MEN1 (0.55) TP53EPHX1TSHRSMN1; SMN2TGM2
SCHEMBL10874264 0.82 ALDH1A1 (0.54) TP53TSHRSMN1; SMN2HSD17B10CYP1A2
SCHEMBL10874257 0.82 ALDH1A1 (0.54) TP53TSHRSMN1; SMN2HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912538-A Preparation method of quinoline compound 沈阳中化农药化工研发有限公司 2022-01-11 CN claimed
CN-115714235-A Separator and battery including the same 武汉微美新材料科技有限公司 2023-02-24 CN disclosed
CN-115347324-A Ceramic coating, and diaphragm and lithium ion battery comprising same 武汉微美新材料科技有限公司 2022-11-15 CN disclosed
CN-113912538-A Preparation method of quinoline compound 沈阳中化农药化工研发有限公司 2022-01-11 CN disclosed
CN-113912538-A Preparation method of quinoline compound 沈阳中化农药化工研发有限公司 2022-01-11 CN disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
CN-101849302-B Nano-graphene sheet-based composite anode composition for lithium ion battery NANOTEK INSTRUMENTS INC 2013-07-24 CN disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP disclosed
CN-101849302-A Nano-graphene sheet-based composite anode composition for lithium ion battery NANOTEK INSTRUMENTS INC 2010-09-29 CN disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 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 (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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 EPHX2 1230/4885TP53 1738/4885EPHX1 716/4885

“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.