SCHEMBL22790953

SCHEMBL22790953

CCCCOc1ccc(-c2cc(C(F)(F)F)nn2C)c(O)c1-c1ccc(Cl)c(C(C)(C)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.34
COMT P21964 1/20 0.32
SCN9A Q15858 10/20 0.32
GCG P01275 1/20 0.32
RIPK2 O43353 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
STIM1 Q13586 1/20 0.32
ORAI1 Q96D31 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL21786435 0.87 COMT (0.37) COMTSCN9ASTIM1ORAI1
SCHEMBL27364374 0.86 RARA (0.37) COMTSCN9ASTIM1ORAI1
SCHEMBL22791165 0.86 COMT (0.37) COMTSCN9ASTIM1ORAI1HDAC3
SCHEMBL22791180 0.84 COMT (0.36) COMTSCN9ASTIM1ORAI1PTGS1
SCHEMBL21786504 0.83 PTGDR2 (0.36) PPARDSCN9AGCGSTIM1ORAI1
SCHEMBL27269805 0.83 COMT (0.34) COMTSCN9A
SCHEMBL22787056 0.83 COMT (0.34) COMTSCN9ASTIM1ORAI1
SCHEMBL22787017 0.83 COMT (0.34) COMTSCN9ASTIM1ORAI1
SCHEMBL22790912 0.82 HTR2A (0.39) COMTPTGS1PTGS2HDAC3HDAC4
SCHEMBL27365158 0.81 COMT (0.32) COMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY 2021-12-23 US disclosed
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents NORTHWESTERN UNIVERSITY (US) 2021-10-12 US disclosed
US-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2020-12-17 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 (3 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-20200392116-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PPARD 1970/4885COMT 3976/4885SCN9A 4686/4885
US-20210395206-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 PPARD 1970/4885COMT 3976/4885SCN9A 4686/4885
US-11142504-B2 Substituted heterocycles as c-MYC targeting agents MYC, MYCBP, MYCBP2 PPARD 1970/4885COMT 3976/4885SCN9A 4686/4885

“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.