SCHEMBL21022299

SCHEMBL21022299

CCc1ccc(/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.53
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
TUBB1 Q9H4B7 1/20 0.50
NFE2L2 Q16236 1/20 0.47
AHR P35869 1/20 0.47
NQO2 P16083 1/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA7 P36544 2/20 0.40
CHRNA4 P43681 2/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
KCNH2 Q12809 1/20 0.37
MAOA P21397 2/20 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
SCHEMBL20076864 0.89 AHR (0.61) PTGS1ALOX5PTGS2TUBB1NFE2L2
SCHEMBL12603780 0.87 PTGS1 (0.52) PTGS1ALOX5PTGS2TUBB1NFE2L2
SCHEMBL21021188 0.85 NFE2L2 (0.69) PTGS1ALOX5PTGS2NFE2L2CHRNB2
SCHEMBL13790220 0.84 PTGS1 (0.61) PTGS1NFE2L2AHRNQO2
SCHEMBL5462179 0.82 PTGS1 (0.51) PTGS1NFE2L2AHRNQO2HIF1A
SCHEMBL6465459 0.81 AHR (0.68) PTGS1NFE2L2AHRNQO2HIF1A
SCHEMBL6459927 0.81 AHR (0.68) PTGS1NFE2L2AHRNQO2HIF1A
SCHEMBL6803478 0.81 AHR (0.68) PTGS1NFE2L2AHRNQO2HIF1A
SCHEMBL14363044 0.79 NFE2L2 (0.71) PTGS1ALOX5PTGS2TUBB1NFE2L2
SCHEMBL18163146 0.78 ESR1 (0.59) PTGS1PTGS2TUBB1AHRCHRNB2

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-10815203-B2 Analogs of fexaramine and methods of making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-10-27 US disclosed
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 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-10815203-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 PTGS1 723/4885ALOX5 424/4885PTGS2 797/4885

“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.