SCHEMBL15536366

SCHEMBL15536366

O=[PH](Cl)c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
CYP1A2 P05177 1/20 0.37
PTGS2 P35354 1/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL14245011 0.81 ALDH1A1 (0.42) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL562949 0.77 ALDH1A1 (0.44) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL23687090 0.77 PTGS2 (0.41) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
Biphenyl SCHEMBL2336844 0.77 ALDH1A1 (0.60) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL20613696 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1MAPK1
Biphenyl SCHEMBL10474290 0.72 ALDH1A1 (0.53) ALDH1A1HPGDBCL2L1MAPK1HDAC4
SCHEMBL5187678 0.71 TSHR (0.43) CYP2A6ALDH1A1HSD17B10HPGDTDP1
Biphenyl SCHEMBL1994657 0.71 ALDH1A1 (0.69) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
Phosphonic Acid SCHEMBL11578470 0.70 ALDH1A1 (0.52) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1
Tannin Pyrogallol SCHEMBL13685561 0.68 ALDH1A1 (0.64) CYP2A6ALDH1A1HSD17B10HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855422-B1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK TECHNOCHEMIE GMBH (DE) 2016-07-13 EP claimed
US-9126896-B2 Synthesis of diamido gellants by using Dane salts of amino acids EVONIK INDUSTRIES AG (DE) 2015-09-08 US claimed
EP-2855422-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS Evonik Industries AG (DE) 2015-04-08 EP claimed
US-20150073172-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK TECHNOCHEMIE GMBH (DE) 2015-03-12 US claimed
WO-2013178450-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK INDUSTRIES AG (DE) 2013-12-05 WO claimed
EP-2855422-B1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK TECHNOCHEMIE GMBH (DE) 2016-07-13 EP disclosed
US-9126896-B2 Synthesis of diamido gellants by using Dane salts of amino acids EVONIK INDUSTRIES AG (DE) 2015-09-08 US disclosed
US-20150073172-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK TECHNOCHEMIE GMBH (DE) 2015-03-12 US disclosed
US-20090247628-A1 SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES AUSPEX PHARMACEUTICALS, INC. (US) 2009-10-01 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 (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-20090247628-A1 SUBSTITUTED PHENYLCYCLOHEXYLGLYCOLATES CHRM3, CHRNG, CHRM5 CYP2A6 216/4885ALDH1A1 1071/4885HSD17B10 2311/4885
US-20150073172-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS DAO, PDIA6, BCAT1 CYP2A6 359/4885ALDH1A1 2675/4885HSD17B10 1911/4885

“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.