SCHEMBL2969474

SCHEMBL2969474

CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 3/20 0.58
LMNA P02545 3/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 2/20 0.55
TSHR P16473 2/20 0.55
CA2 P00918 1/20 0.51
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 1/20 0.49
MAPT P10636 2/20 0.48
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PDPK1 O15530 1/20 0.46
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL15344215 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL62195 0.95 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
Tromethamine SCHEMBL6650570 0.93 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL13294304 0.92 ALDH1A1 (0.59) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL490468 0.91 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL17212248 0.91 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL27034976 0.91 PRSS1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL13852877 0.90 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL18516874 0.90 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10MAPK1
SCHEMBL15328854 0.90 ALDH1A1 (0.57) ALDH1A1CYP3A4LMNAHSD17B10MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921157-B1 Coated titanium dioxide to reduce whitening effect on skin SYMRISE AG (DE) 2017-08-16 EP disclosed
EP-2185126-B1 USE OF TROXERUTIN TO QUENCH THE FLUORESCENCE OF DISODIUM PHENYL DIBENZIMIDAZOLE TETRASULFONATE SYMRISE AG (DE) 2017-06-21 EP disclosed
US-9517190-B2 Coated titanium dioxide to reduce the whitening effect on skin SYMRISE AG (DE) 2016-12-13 US disclosed
EP-2178493-B2 Stable soluble salts of phenylbenzimidazole sulfonic acid at pH 6.0 to below 6.8 SYMRISE AG (DE) 2015-12-09 EP disclosed
US-20150265510-A1 COATED TITANIUM DIOXIDE TO REDUCE THE WHITENING EFFECT ON SKIN SYMRISE AG (DE) 2015-09-24 US disclosed
EP-2921157-A1 Coated titanium dioxide to reduce whitening effect on skin Symrise AG (DE) 2015-09-23 EP disclosed
US-8440172-B2 Stable soluble salts of phenylbenzimidazole sulfonic acid at PHS at or below 7.0 SYMRISE AG (DE) 2013-05-14 US disclosed
EP-2178493-B1 Stable soluble salts of phenylbenzimidazole sulfonic acid at pH 6.0 to below 6.8 SYMRISE AG (DE) 2012-12-12 EP disclosed
US-20100183531-A1 STABLE SOLUBLE SALTS OF PHENYLBENZIMIDAZOLE SULFONIC ACID AT PHS AT OR BELOW 7.0 SYMRISE GMBH & CO. KG (DE) 2010-07-22 US disclosed
EP-2185126-A2 USE OF TROXERUTIN TO QUENCH THE FLUORESCENCE OF DISODIUM PHENYL DIBENZIMIDAZOLE TETRASULFONATE Symrise GmbH & Co. KG (DE) 2010-05-19 EP disclosed
WO-2007135197-A2 USE OF BENZOPHENONE-4 AND ITS SALTS TO QUENCH THE FLUORESCENCE OF DISODIUM PHENYL DIBENZIMIDAZOLE TETRASULFONATE SYMRISE GMBH & CO. KG (DE) 2007-11-29 WO disclosed
WO-2007128840-A2 USE OF TROXERUTIN TO QUENCH THE FLUORESCENCE OF DISODIUM PHENYL DIBENZIMIDAZOLE TETRASULFONATE SYMRISE GMBH & CO. KG (DE) 2007-11-15 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 (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-20150265510-A1 COATED TITANIUM DIOXIDE TO REDUCE THE WHITENING EFFECT ON SKIN FASN, ALOX12, CUTA ALDH1A1 252/4885CYP3A4 502/4885LMNA 2058/4885
US-20100183531-A1 STABLE SOLUBLE SALTS OF PHENYLBENZIMIDAZOLE SULFONIC ACID AT PHS AT OR BELOW 7.0 TYR, H1-5, PAH ALDH1A1 2231/4885CYP3A4 1191/4885LMNA 3887/4885

“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.