SCHEMBL23090366

SCHEMBL23090366

COc1cc2c(cc1C(C)=O)CCCCC2

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.57
HTT P42858 3/20 0.46
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CA9 Q16790 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC2A1 P11166 1/20 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
SCHEMBL7402508 0.95 DHODH (0.51) DHODHHTTRAB9ALMNAMEN1
SCHEMBL23090368 0.86 DHODH (0.53) DHODHHTTRAB9ALMNAMEN1
SCHEMBL23105173 0.84 DHODH (0.52) DHODHHTTRAB9ALMNAMEN1
SCHEMBL7797975 0.80 KDM4E (0.51) DHODHHTTRAB9ALMNAMEN1
SCHEMBL9141930 0.79 DHODH (0.47) DHODHHTTRAB9ALMNAMEN1
Hydrochloric Acid SCHEMBL9141935 0.79 KDM4E (0.50) DHODHHTTRAB9ALMNAMEN1
SCHEMBL20630769 0.78 HTT (0.68) HTTRAB9ALMNAMEN1KMT2A
SCHEMBL2461164 0.77 CA9 (0.50) LMNACA9MAPTCYP3A4ALOX15
SCHEMBL11452568 0.77 TSHR (0.41) DHODHHTTRAB9ALMNAMEN1
SCHEMBL6275679 0.77 RXRA (0.47) DHODHHTTRAB9AMEN1KMT2A

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 344/4885HTT 1837/4885RAB9A 1095/4885
US-11066357-B2 Benzoannulene derivatives as antiviral agents ZC3HAV1, MAVS, ZC3HAV1L DHODH 344/4885HTT 1837/4885RAB9A 1095/4885

“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.