SCHEMBL11997831

SCHEMBL11997831

c1ccc(-c2ccc(-c3cc(-[n+]4ccsc4)cc(-[n+]4ccsc4)c3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 1/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ SLC22A3 O75751 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CYP2E1 P05181 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ NTSR1 P30989 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ UHRF1 Q96T88 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL11997826 0.98 SLC22A2 (0.38) SLC22A2SLC22A1SLC22A3SLC6A4FFAR4
SCHEMBL11997829 0.82 FFAR4 (0.35) FFAR4
SCHEMBL5065145 0.78 ALDH1A1 (0.38) SLC22A2SLC22A1SLC22A3SLC6A4FFAR4
SCHEMBL11997819 0.77 FFAR4 (0.35) FFAR4ALDH1A1
Bromide SCHEMBL4939222 0.77 ALDH1A1 (0.41) SLC22A2SLC22A1SLC22A3SLC6A4FFAR4
SCHEMBL11997836 0.69 ADORA2A (0.40) NPC1NTSR1RAB9AMAPK1HTT
SCHEMBL1108043 0.65 SLC22A2 (0.50) SLC22A2SLC22A1SLC22A3SLC6A4CYP2E1
SCHEMBL14197386 0.65 SLC22A2 (0.44) SLC22A2SLC22A1SLC22A3SLC6A4NPC1
SCHEMBL13911034 0.63 SLC22A2 (0.43) SLC22A2SLC22A1SLC22A3SLC6A4NPC1
SCHEMBL5130299 0.63 ALDH1A1 (0.69) MAPK1KDM4EHTTALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754232-B2 Methods of making bis-tridentate carbene complexes of ruthenium and osmium UNIVERSAL DISPLAY CORPORATION (US) 2014-06-17 — — US disclosed
US-20140021453-A1 METHODS OF MAKING BIS-TRIDENTATE CARBENE COMPLEXES OF RUTHENIUM AND OSMIUM UNIVERSAL DISPLAY CORPORATION (US) 2014-01-23 — — US disclosed
US-8563737-B2 Methods of making bis-tridentate carbene complexes of ruthenium and osmium UNIVERSAL DISPLAY CORPORATION (US) 2013-10-22 — — US disclosed
US-20120215000-A1 METHODS OF MAKING BIS-TRIDENTATE CARBENE COMPLEXES OF RUTHENIUM AND OSMIUM UNIVERSAL DISPLAY CORPORATION 2012-08-23 — — US disclosed
US-20120215000-A1 METHODS OF MAKING BIS-TRIDENTATE CARBENE COMPLEXES OF RUTHENIUM AND OSMIUM UNIVERSAL DISPLAY CORPORATION 2012-08-23 — — 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 (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-20120215000-A1 METHODS OF MAKING BIS-TRIDENTATE CARBENE COMPLEXES OF RUTHENIUM AND OSMIUM OCIAD2, OCIAD1, OSTC SLC22A2 3257/4885SLC22A1 3609/4885SLC22A3 3445/4885

“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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