SCHEMBL23090401

SCHEMBL23090401

COc1cc2c(cc1CC(=O)O)CCCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.51
▸ SLC2A1 P11166 1/20 0.51
▸ CYP3A4 P08684 1/20 0.45
▸ GAA P10253 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ DHODH Q02127 4/20 0.42
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RXRG P48443 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL23090369 0.86 SLC2A1 (0.53) SLC2A1CYP3A4ALDH1A1NPSR1HTT
SCHEMBL11420544 0.80 HSD17B10 (0.67) HSD17B10CYP3A4GAAALDH1A1TSHR
SCHEMBL9370651 0.80 SLC2A1 (0.58) SLC2A1NPSR1HTTPOLBRXRA
SCHEMBL27917034 0.77 CYP3A4 (0.71) HSD17B10CYP3A4GAAALDH1A1TSHR
SCHEMBL28611348 0.77 HSD17B10 (0.62) HSD17B10CYP3A4GAAALDH1A1TSHR
SCHEMBL13332559 0.75 HSD17B1 (0.51) HSD17B10SLC2A1CYP3A4ALDH1A1TSHR
SCHEMBL23090381 0.75 KMT2A (0.42) HSD17B10SLC2A1NPSR1HTTSMN1; SMN2
SCHEMBL23090368 0.75 DHODH (0.53) HSD17B10SLC2A1CYP3A4ALDH1A1NPSR1
SCHEMBL16527104 0.74 HSD17B10 (0.59) HSD17B10CYP3A4GAAALDH1A1TSHR
SCHEMBL23090392 0.73 KMT2A (0.41) SLC2A1ALDH1A1HTTDHODHLMNA

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 HSD17B10 1907/4885SLC2A1 3161/4885CYP3A4 1900/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L HSD17B10 1907/4885SLC2A1 3161/4885CYP3A4 1900/4885

“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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