SCHEMBL23090385

SCHEMBL23090385

COc1cc2c(cc1C(=O)Nc1ccc(OC(F)(F)F)cc1)CCCCC2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 3/20 0.70
▸ TRPV1 Q8NER1 2/20 0.57
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ ABL1 P00519 6/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ MCHR1 Q99705 1/20 0.48
▸ EPHX2 P34913 2/20 0.47
▸ ABCB1 P08183 1/20 0.47

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
SCHEMBL23090379 0.83 DHODH (0.78) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23090382 0.82 DHODH (1.00) DHODHTRPV1MEN1KMT2ARAB9A
SCHEMBL23090367 0.81 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23090371 0.80 DHODH (0.71) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21468450 0.80 DHODH (0.71) DHODHTRPV1MEN1KMT2ARAB9A
SCHEMBL23090416 0.78 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL1353240 0.77 HDAC8 (0.61) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL1354062 0.76 HDAC8 (0.60) TRPV1MEN1KMT2ARAB9ANPC1
SCHEMBL23651305 0.75 DHODH (0.77) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL23090409 0.75 DHODH (0.63) DHODHMEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-11066357-B2 Benzoannulene derivatives as antiviral agents SOUTHERN RESEARCH INSTITUTE (US) 2021-07-20 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — US disclosed
US-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE 2021-03-18 — — 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 (2 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-20210078937-A1 BENZOANNULENE DERIVATIVES AS ANTIVIRAL AGENTS ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885TRPV1 2296/4885MEN1 2888/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885TRPV1 2296/4885MEN1 2888/4885

“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.

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