SCHEMBL23090382

SCHEMBL23090382

COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MAPT P10636 4/20 0.63
▸ LMNA P02545 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ NR1H4 Q96RI1 4/20 0.57
▸ TP53 P04637 2/20 0.54
▸ MEN1 O00255 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ F10 P00742 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ TRPV1 Q8NER1 1/20 0.46
▸ POLB P06746 2/20 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
SCHEMBL23090367 0.92 DHODH (1.00) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23105163 0.88 DHODH (0.79) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090416 0.88 DHODH (1.00) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23651305 0.87 DHODH (0.77) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090405 0.87 DHODH (0.77) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090379 0.86 DHODH (0.78) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090389 0.86 DHODH (0.76) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL21499370 0.86 DHODH (0.74) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23090370 0.84 DHODH (0.72) DHODHSMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL23105165 0.84 DHODH (0.72) DHODHSMN1; SMN2MAPTLMNAALDH1A1

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 1489/4885MAPT 997/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885SMN1; SMN2 1489/4885MAPT 997/4885

“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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