SCHEMBL9945872

SCHEMBL9945872

CC(C)c1c(F)cc(F)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA4 P22748 2/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL22561829 0.84 CA1 (0.31) CA1CA2CA4CA12CA7
SCHEMBL9003976 0.83 CA1 (0.33) CA1CA2CA4CA12CA7
SCHEMBL18882779 0.80 DPP4 (0.33) DPP4
SCHEMBL9945896 0.80
SCHEMBL17553253 0.80
SCHEMBL12599608 0.80
SCHEMBL1996066 0.80 MEN1 (0.35) CA1CA2CA4
SCHEMBL13385366 0.80 BCL2 (0.33)
SCHEMBL20223463 0.80 BCL2 (0.33)
SCHEMBL13377140 0.80 GABRA1 (0.31) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-9795953-B2 Organometallic catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2017-10-24 US disclosed
US-20160214098-A1 NOVEL ORGANOMETALLIC CATALYSTS BERGEN TEKNOLOGIOVERFORING AS (NO) 2016-07-28 US disclosed
US-9303100-B2 Organometallic catalysts BERGEN TEKNOLOGIOVERFORING AS (NO) 2016-04-05 US disclosed
US-20150025212-A1 NOVEL ORGANOMETALLIC CATALYSTS BERGEN TEKNOLOGIOVERFORING AS (NO) 2015-01-22 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (4 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 CA1 4827/4885CA2 3510/4885CA4 4858/4885
US-20160214098-A1 NOVEL ORGANOMETALLIC CATALYSTS ZKSCAN2, ZC3HAV1L, ZRANB2 CA1 1759/4885CA2 1613/4885CA4 1008/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 CA1 4704/4885CA2 4486/4885CA4 4763/4885
US-20150025212-A1 NOVEL ORGANOMETALLIC CATALYSTS ZKSCAN2, ZC3HAV1L, ZRANB2 CA1 1759/4885CA2 1613/4885CA4 1008/4885

“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.