SCHEMBL16405335

SCHEMBL16405335

Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.35
CES2 O00748 2/20 0.33
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
AR P10275 1/20 0.32
PDE2A O00408 3/20 0.32
CACNA1H O95180 4/20 0.31
CACNA1C Q13936 3/20 0.31
EGLN1 Q9GZT9 2/20 0.31
CACNA1B Q00975 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
KIF11 P52732 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
S1PR1 P21453 1/20 0.31
CACNA1G O43497 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
SCHEMBL20072258 0.91 CES2 (0.38) CES2ARPDE2ACACNA1HCACNA1C
SCHEMBL24032646 0.88 POLB (0.38) ARPDE2AKIF11
SCHEMBL23791246 0.87 RAPGEF4 (0.39) RAPGEF4CES2LDHALDHBPDE2A
SCHEMBL21139491 0.82 PDE2A (0.44) PDE2A
SCHEMBL12534593 0.82 HTR2A (0.33) CACNA1CHTR2AHTR2CHTR2B
SCHEMBL21139479 0.82 PDE2A (0.41) CES2ARPDE2ACACNA1HCACNA1C
SCHEMBL13799252 0.82 PDE2A (0.33) CES2ARPDE2ACACNA1HCACNA1C
SCHEMBL19871661 0.80 RAPGEF4 (0.33) RAPGEF4
SCHEMBL24105908 0.78 SMN1; SMN2 (0.36) RAPGEF4ARKIF11HTR2AHTR2C
SCHEMBL27295732 0.78 IL1B (0.37) RAPGEF4LDHALDHBPDE2ACACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220141-A1 INHIBITORS OF GLUTATHIONE S-TRANSFERASE ZETA 1 (GSTZ1) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-11-16 WO disclosed
US-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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

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-20230137110-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF SLCO2B1, SLCO2A1, SLCO1B3 RAPGEF4 4038/4885CES2 1235/4885LDHA 59/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 RAPGEF4 2965/4885CES2 3921/4885LDHA 272/4885
US-20160214098-A1 NOVEL ORGANOMETALLIC CATALYSTS ZKSCAN2, ZC3HAV1L, ZRANB2 RAPGEF4 1279/4885CES2 3600/4885LDHA 2147/4885
US-20150025212-A1 NOVEL ORGANOMETALLIC CATALYSTS ZKSCAN2, ZC3HAV1L, ZRANB2 RAPGEF4 1279/4885CES2 3600/4885LDHA 2147/4885

“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.