SCHEMBL13313166

SCHEMBL13313166

COCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
SIGMAR1 Q99720 3/20 0.50
EPHX1 P07099 1/20 0.47
NAAA Q02083 10/20 0.45
FKBP1A P62942 1/20 0.42

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
SCHEMBL27625119 0.98 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL13313184 0.98 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL382926 0.98 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL18414169 0.95 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL30203249 0.95 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL11157147 0.93 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
Ammonia Solution, Strong SCHEMBL7862370 0.91 CYP1A2 (0.54) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL6076883 0.91 CYP1A2 (0.52) CYP1A2SIGMAR1EPHX1NAAAFKBP1A
SCHEMBL12745051 0.88
SCHEMBL23471287 0.86 SIGMAR1 (0.39) CYP1A2SIGMAR1EPHX1NAAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141153-B Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2023-11-14 CN disclosed
CN-115141153-A Benzodiazepine compound and preparation method and application thereof 徐州医科大学 2022-10-04 CN disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-7728023-B2 Indole compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
US-20080188532-A1 Indole Compound and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
EP-1852420-A1 INDOLE COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 EP 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 (1 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-20080188532-A1 Indole Compound and Use Thereof CYSLTR1, LTC4S, IDO1 CYP1A2 878/4885SIGMAR1 1073/4885EPHX1 920/4885

“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.