SCHEMBL7062004

SCHEMBL7062004

CCC(=O)OCC(=O)OC1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
EPHX1 P07099 2/20 0.49
HTT P42858 3/20 0.47
CYP2C19 P33261 1/20 0.46
CYP19A1 P11511 3/20 0.41
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL4672689 0.98 NAAA (0.51) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1595662 0.86 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL1695751 0.86 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL183236 0.86 NAAA (0.61) NAAAEPHX1HTTCYP2C19CYP19A1
Hydrochloric Acid SCHEMBL22466282 0.84 NAAA (0.59) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL7905393 0.84 NAAA (0.59) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL9577043 0.84 NAAA (0.59) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL97374 0.84 NAAA (0.60) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL949697 0.83 CYP2C19 (0.47) NAAAEPHX1HTTCYP2C19CYP19A1
SCHEMBL949533 0.83 CYP2C19 (0.47) NAAAEPHX1HTTCYP2C19CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof KULING THERAPEUTICS (CN) 2017-10-19 US disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 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-20170298090-A1 Modulators of ROR-gamma Receptors, Composition and Use Thereof RORC, RORB, RORA NAAA 4441/4885EPHX1 1472/4885HTT 4553/4885
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO NAAA 367/4885EPHX1 236/4885HTT 260/4885

“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.