SCHEMBL21167302

SCHEMBL21167302

COc1cc2occc2cc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA13 Q8N1Q1 2/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
CYP3A4 P08684 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL22166982 0.87 CA12 (0.41) CA12CA1CA9CA2CA7
SCHEMBL4580168 0.81 MCL1 (0.55) CA12CA1CA9CA7CA13
SCHEMBL16744220 0.81 HTR1B (0.42) CYP3A4HSD17B10PTPN1KDM4ECYP2D6
SCHEMBL12546789 0.77 CYP3A4 (0.43) CA12CA1CA9CA7CA13
SCHEMBL13038526 0.77 HTR1B (0.39) CYP3A4HSD17B10PTPN1KDM4ECYP2D6
SCHEMBL12533391 0.75 HTR1B (0.38) CYP3A4HSD17B10PTPN1KDM4ECYP2D6
SCHEMBL5987112 0.75 CYP3A4 (0.45) CA12CA1CA9CA7CA13
SCHEMBL29286601 0.75 MCL1 (0.60) CA12CA1CA9CA7CA13
SCHEMBL19151505 0.75 LMNA (0.41) CYP3A4HSD17B10KDM4ECYP2D6CYP2A6
SCHEMBL30018039 0.74 MCL1 (0.47) CA12CA1CA9CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-07-18 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 (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-20190218257-A1 NOVEL NUCLEOSIDE TRIPHOSPHATE TRANSPORTER AND USES THEREOF SLC35B2, SLC29A2, PNP CA12 4572/4885CA1 4792/4885CA9 2871/4885

“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.