SCHEMBL1802571

SCHEMBL1802571

CCCCC1(C)CC(=O)CC(C)(C)N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP19A1 P11511 1/20 0.33
MGAT2 Q10469 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL1806745 0.93 HSD17B10 (0.37) HSD17B10ALOX12SMN1; SMN2CYP19A1MGAT2
SCHEMBL1802401 0.90 HSD17B10 (0.42) HSD17B10ALOX12SMN1; SMN2CYP19A1MGAT2
SCHEMBL1802875 0.81 HSD17B10 (0.42) HSD17B10SMN1; SMN2CYP19A1KDM4ELMNA
SCHEMBL4803750 0.80 KDM4E (0.40) SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL7684037 0.76 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL1802898 0.73 SMN1; SMN2 (0.36) HSD17B10SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL38953 0.72 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL20712625 0.71 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL24653312 0.70
SCHEMBL8106126 0.70 TSHR (0.53) HSD17B10SMN1; SMN2

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-20200369608-A1 PROCESSES FOR PREPARING PYRROLIDINE COMPOUNDS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2020-11-26 US disclosed
WO-2011052759-A1 NOVEL NITROXYL RADICAL COMPOUND AND PROCESS FOR PRODUCTION THEREOF 国立大学法人九州大学 (JP) 2011-05-05 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-20200369608-A1 PROCESSES FOR PREPARING PYRROLIDINE COMPOUNDS MTAP, PRMT5, TET3 HSD17B10 4785/4885ALOX12 4830/4885SMN1; SMN2 573/4885

“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.