SCHEMBL23090403

SCHEMBL23090403

COc1cc2c(cc1CC(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.52
▸ NR1H4 Q96RI1 2/20 0.49
▸ TRPV1 Q8NER1 1/20 0.47
▸ PPARA Q07869 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL21499324 0.81 DHODH (0.73) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23090382 0.80 DHODH (1.00) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23105282 0.77 DHODH (0.55) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23090369 0.75 SLC2A1 (0.53) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL21468524 0.74 DHODH (0.70) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL21468457 0.74 DHODH (1.00) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23090410 0.74 DHODH (0.69) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23105163 0.74 DHODH (0.79) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23090411 0.74 DHODH (0.71) DHODHSMN1; SMN2LMNAHTTMAPT
SCHEMBL23090401 0.73 HSD17B10 (0.51) DHODHSMN1; SMN2LMNAHTTMAPT

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 344/4885SMN1; SMN2 1489/4885LMNA 3202/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885SMN1; SMN2 1489/4885LMNA 3202/4885

“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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