SCHEMBL578418

SCHEMBL578418

CCNC(=O)C1CCC(O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TRPA1 O75762 1/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
NAAA Q02083 1/20 0.42
BCHE P06276 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EPHX1 P07099 2/20 0.39
CYP3A4 P08684 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL1678458 0.91
Hydrochloric Acid SCHEMBL28988641 0.89
SCHEMBL20928274 0.83 NAAA (0.51) KMT2ASMN1; SMN2HSD17B10TRPA1GNAI3
SCHEMBL15199085 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10GNAI3GNAO1
SCHEMBL15199084 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10GNAI3GNAO1
SCHEMBL23890497 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10TRPA1GNAI3
SCHEMBL13255685 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10TRPA1GNAI3
SCHEMBL13753926 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10GNAI3GNAO1
SCHEMBL13321817 0.83 KMT2A (0.45) KMT2ASMN1; SMN2HSD17B10TRPA1GNAI3
SCHEMBL1810307 0.82 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2HSD17B10GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418203-B1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO CO LTD (JP) 2013-12-11 EP disclosed
US-8410273-B2 Cyclic compound having substituted phenyl group DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-02 US disclosed
US-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-16 US disclosed
EP-2418203-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP Daiichi Sankyo Company, Limited (JP) 2012-02-15 EP 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-20120040936-A1 CYCLIC COMPOUND HAVING SUBSTITUTED PHENYL GROUP BMP2, BMP4, BMP6 KMT2A 2350/4885SMN1; SMN2 504/4885HSD17B10 2673/4885

“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.