SCHEMBL3974812

SCHEMBL3974812

COC(=O)C1CCCC(C(=O)OC)C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
BRD4 O60885 1/20 0.37
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 1/20 0.34
THRB P10828 1/20 0.34
TLR4 O00206 1/20 0.34
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL12798508 0.92 CYP1A2 (0.39) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL13882832 0.91 CYP1A2 (0.46) CYP1A2HIF1ABRD4SMN1; SMN2PPM1B
SCHEMBL3310290 0.88 CYP1A2 (0.39) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL11782843 0.86 CYP1A2 (0.38) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL3362070 0.82 CYP1A2 (0.38) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL30052789 0.80 BRD4 (0.36) CYP1A2HIF1ACHRM2CHRM4CHRM3
SCHEMBL5346726 0.78 CYP1A2 (0.41) CYP1A2HIF1ABRD4PPM1BPTPN1
SCHEMBL374935 0.78 MAPK1 (0.47) CYP1A2HIF1AMAPK1THRBTLR4
SCHEMBL31276435 0.78 MAPK1 (0.47) CYP1A2HIF1AMAPK1THRBTLR4
SCHEMBL25061 0.78 MAPK1 (0.47) CYP1A2HIF1AMAPK1THRBTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4303277-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2024-01-10 EP disclosed
WO-2022186143-A1 ANTIFOULING COATING COMPOSITION 日東化成株式会社 2022-09-09 WO disclosed
US-9029537-B2 Electroluminescent materials LOMOX LIMITED (GB) 2015-05-12 US disclosed
US-9029537-B2 Electroluminescent materials LOMOX LIMITED (GB) 2015-05-12 US disclosed
US-8558013-B2 Electroluminescent materials LOMOX LIMITED (GB) 2013-10-15 US disclosed
US-8558013-B2 Electroluminescent materials LOMOX LIMITED (GB) 2013-10-15 US disclosed
US-20130037752-A1 ELECTROLUMINESCENT MATERIALS COMPRISING FLUORENE DERIVATIVES LOMOX LIMITED (GB) 2013-02-14 US disclosed
US-20130037752-A1 ELECTROLUMINESCENT MATERIALS COMPRISING FLUORENE DERIVATIVES LOMOX LIMITED (GB) 2013-02-14 US disclosed
US-20110015404-A1 Electroluminescent Materials LOMOX LIMITED (GB) 2011-01-20 US disclosed
US-20110015404-A1 Electroluminescent Materials LOMOX LIMITED (GB) 2011-01-20 US disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 WO disclosed
WO-2009049018-A1 NOVEL COMPOUNDS AND METHODS OF USING THEM SYNDAX PHARMACEUTICALS, INC. (US) 2009-04-16 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-20130037752-A1 ELECTROLUMINESCENT MATERIALS COMPRISING FLUORENE DERIVATIVES SPIN2B, FLNB, LMNB2 CYP1A2 1756/4885HIF1A 4686/4885CHRM2 701/4885
US-20110015404-A1 Electroluminescent Materials ZYX, FLNB, LMNB2 CYP1A2 2211/4885HIF1A 4225/4885CHRM2 666/4885

“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.