SCHEMBL12955090

SCHEMBL12955090

CCCCCCCCCCCCCNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.42
▸ CYP3A4 P08684 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ MEN1 O00255 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ GLO1 Q04760 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ AHR P35869 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ SENP2 Q9HC62 1/20 0.34

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
SCHEMBL12955158 0.85 MAP4K1 (0.40) THRBCYP3A4TP53TSHRMAPK1
SCHEMBL11685404 0.81 CNR1 (0.47) THRBTSHRMAPK1SMN1; SMN2TDP1
SCHEMBL11685397 0.81 CNR1 (0.47) THRBTSHRMAPK1SMN1; SMN2TDP1
SCHEMBL26172959 0.81 KCNH2 (0.45) THRBCYP3A4TP53TSHRMAPK1
SCHEMBL26104730 0.77 THRB (0.41) THRBMAPK1SMN1; SMN2TDP1ALPL
SCHEMBL12954941 0.77 THRB (0.41) THRBMAPK1SMN1; SMN2TDP1ALPL
Scarlet Red SCHEMBL62339 0.75 THRB (0.72) THRBCYP3A4TP53TSHRMAPK1
Scarlet Red SCHEMBL1070583 0.75 THRB (0.72) THRBCYP3A4TP53TSHRMAPK1
Scarlet Red SCHEMBL6833437 0.75 THRB (0.72) THRBCYP3A4TP53TSHRMAPK1
Scarlet Red SCHEMBL29493283 0.75 THRB (0.72) THRBCYP3A4TP53TSHRMAPK1

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
EP-2142011-B1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
EP-2139347-B1 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2011-01-12 — — EP disclosed
US-20100047426-A1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPOSITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2010-02-25 — — US disclosed
US-20100047426-A1 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPOSITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2010-02-25 — — US disclosed
US-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION BASF SE (DE) 2010-02-04 — — US disclosed
WO-2008102018-A2 METHOD FOR MODULATING THE TASTE OF MATERIAL COMPISITIONS CONTAINING AT LEAST ONE HIGH INTENSITY SWEETENER (HIS) BASF SE (DE) 2008-08-28 — — WO disclosed
WO-2008102019-A2 USE OF WATER-DISPERSIBLE CAROTINOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTINOID NANOPARTICLES, AND METHOD FOR TASTE MODULATION BASF SE (DE) 2008-08-28 — — WO 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-20100028444-A1 USE OF WATER-DISPERSIBLE CAROTENOID NANOPARTICLES AS TASTE MODULATORS, TASTE MODULATORS CONTAINING WATER-DISPERSIBLE CAROTENOID NANOPARTICLES, AND, METHOD FOR TASTE MODULATION TAS2R13, TAS2R10, TAS2R16 THRB 3159/4885CYP3A4 1514/4885TP53 249/4885

“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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