SCHEMBL23105331

SCHEMBL23105331

CC(C)(O)c1ccc(NC(=O)c2cc3c(cc2O)CCCCC3)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 4/20 0.72
▸ PLG P00747 2/20 0.48
▸ KLK1 P06870 2/20 0.48
▸ KLK6 Q92876 2/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ NR1H4 Q96RI1 1/20 0.47
▸ P2RX1 P51575 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ P2RX7 Q99572 1/20 0.42
▸ TMPRSS4 Q9NRS4 1/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ RAB9A P51151 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ PPARG P37231 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41

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
SCHEMBL23090370 0.91 DHODH (0.72) DHODHPLGKLK1KLK6KLKB1
SCHEMBL23090367 0.84 DHODH (1.00) DHODHNR1H4NPC1RAB9AMEN1
SCHEMBL23090410 0.79 DHODH (0.69) DHODHPLGKLK1KLK6KLKB1
SCHEMBL23105165 0.78 DHODH (0.72) DHODHNR1H4NPC1RAB9ASMN1; SMN2
SCHEMBL23090384 0.76 DHODH (0.56) DHODHPLGKLK1KLK6KLKB1
SCHEMBL23090395 0.76 DHODH (0.50) DHODHPLGKLK1KLK6KLKB1
SCHEMBL23090382 0.75 DHODH (1.00) DHODHNR1H4NPC1RAB9AMEN1
SCHEMBL23090405 0.72 DHODH (0.77) DHODHPLGKLK1KLK6KLKB1
SCHEMBL23090417 0.71 DHODH (0.62) DHODHNR1H4NPC1RAB9AMEN1
SCHEMBL21468516 0.69 NPC1 (0.68) DHODHNPC1RAB9ASMN1; SMN2NFKB1

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-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

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 344/4885PLG 4498/4885KLK1 1492/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885PLG 4498/4885KLK1 1492/4885

“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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