SCHEMBL18022589

SCHEMBL18022589

Cc1c(-c2cccc(-c3cccc4c3sc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)cccc34)c2)cccc1-c1cccc(-c2ccccc2)c1S

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ LIMK1 P53667 1/20 0.36
▸ CD274 Q9NZQ7 5/20 0.35
▸ PDCD1 Q15116 4/20 0.35
▸ TDO2 P48775 1/20 0.33
▸ F9 P00740 1/20 0.30
▸ CYP17A1 P05093 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ PRKDC P78527 1/20 0.30

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
SCHEMBL18019643 1.00 ALOX5 (0.38) ALOX5LIMK1CD274PDCD1TDO2
SCHEMBL18272226 0.91 CD274 (0.41) CD274PDCD1CYP1A2
SCHEMBL17577451 0.90 CD274 (0.41) CD274PDCD1
SCHEMBL17470636 0.90 CD274 (0.41) CD274PDCD1
SCHEMBL17470606 0.90 CD274 (0.42) CD274PDCD1CYP1A2
SCHEMBL17470548 0.88 CD274 (0.41) CD274PDCD1
SCHEMBL16135202 0.88 CD274 (0.41) CD274PDCD1CYP1A2
SCHEMBL17057318 0.87 CD274 (0.37) CD274PDCD1PRKDC
SCHEMBL17057300 0.87 CD274 (0.37) CD274PDCD1PRKDC
SCHEMBL16135029 0.86 CD274 (0.38) CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170012223-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2017-01-12 — — US disclosed
US-20160359122-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-12-08 — — US disclosed
US-20160240792-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-08-18 — — 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 (3 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-20170012223-A1 Organic Electroluminescent Materials and Devices EML4, MT-ND4L, MT-ND4 ALOX5 3283/4885LIMK1 898/4885CD274 39/4885
US-20160240792-A1 Organic Electroluminescent Materials and Devices CBX2, DDX3X, CBX7 ALOX5 2660/4885LIMK1 2624/4885CD274 100/4885
US-20160359122-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ZFR, EML4, SOD1 ALOX5 3107/4885LIMK1 2288/4885CD274 590/4885

“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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