SCHEMBL1724293

SCHEMBL1724293

[c]1cccc(-c2occ3ccccc23)c1SCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
MAOB P27338 1/20 0.32
S100A4 P26447 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PPARG P37231 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL1247110 0.81 TDP1 (0.40) ELANEMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL2965652 0.75 S100A4 (0.39) ALDH1A1NPC1RAB9ATDP1MAOB
SCHEMBL324177 0.73 MAOB (0.44) ELANEALDH1A1MEN1KMT2ANPC1
SCHEMBL6981693 0.72 LMNA (0.39) ELANEMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL24245 0.70 APP (0.35) CYP3A4NPC1RAB9AS100A4SMN1; SMN2
SCHEMBL18905 0.70 POLB (0.55) MAPTCYP1A2CYP3A4MEN1KMT2A
SCHEMBL6469994 0.69 RAB9A (0.49) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL17438712 0.69 RAB9A (0.47) MAPTALDH1A1CYP1A2MEN1KMT2A
SCHEMBL7447169 0.68 MAPT (0.31) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL1707607 0.67 RAB9A (0.41) ELANEMAPTALDH1A1CYP1A2CYP3A4

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365113-B2 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION 2008-04-29 US claimed
US-7279515-B2 Resorcinol carbonate-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION 2007-10-09 US claimed
US-20060210896-A1 Aromatic amine-based charge transport materials having an N,N-divinyl group SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-09-21 US claimed
US-8193372-B2 Phosphothiophene and phosphothiazole HCV polymerase inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2012-06-05 US disclosed
EP-2403860-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
WO-2010101967-A2 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed
US-7534541-B2 Heterocycle-hydrazone based charge transport materials SAMSUNG ELECTRONICS CO., LTD. (KR) 2009-05-19 US disclosed
US-7452641-B2 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-11-18 US disclosed
US-7439289-B2 Benzoylresorcinol-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2008-10-21 US disclosed
US-7378203-B2 Ferrocene(di)carboxaldehyde N-phenylhydrazone and monomeric, bridged or polymeric derivatives; good mechanical and electrostatic properties; can be used with liquid and dry toners to produce high quality images; imaging systems can be maintained after repeated cycling; electrography SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-05-27 US disclosed
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group S-PRINTING SOLUTION CO., LTD. (KR) 2006-08-10 US disclosed
US-20060166118-A1 Heterocycle-hydrazone based charge transport materials S-PRINTING SOLUTION CO., LTD. (KR) 2006-07-27 US disclosed
WO-2006036891-A2 BENZOYLRESORCINOL-BASED PHOSPHATE ESTER COMPOUDS AS FLAME RETARDANTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
WO-2006036881-A2 RESORCINOL CARBONATE-BASED PHOSPHATE ESTER COMPOUNDS AS FLAME RETARDANTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
WO-2006036880-A2 PHOSPHATE ESTER FLAME RETRADANTS FROM RESORCINOL-KETONE REACTION PRODUCTS INDSPEC CHEMICAL CORPORATION (US) 2006-04-06 WO disclosed
US-20060063866-A1 Resorcinol carbonate-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US disclosed
US-20060063867-A1 Phosphate ester flame retardants from resorcinol-ketone reaction products INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US disclosed
US-20060063865-A1 Benzoylresorcinol-based phosphate ester compounds as flame retardants INDSPEC CHEMICAL CORPORATION (US) 2006-03-23 US disclosed
US-20050147906-A1 Electrophotographic organophotoreceptors with novel charge transport compounds S-PRINTING SOLUTION CO., LTD. (KR) 2005-07-07 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 (4 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-20060166118-A1 Heterocycle-hydrazone based charge transport materials AQP1, SLC9B2, SLC9A2 ELANE 1862/4885MAPT 4672/4885ALDH1A1 930/4885
US-20060210896-A1 Aromatic amine-based charge transport materials having an N,N-divinyl group SLC18A1, SLC18A2, SLC6A19 ELANE 1265/4885MAPT 1823/4885ALDH1A1 2059/4885
US-20060177750-A1 Charge transport materials having a nitrogen-containing-heterocycle hydrazone group SLC1A2, SLC9B2, SLC6A19 ELANE 674/4885MAPT 4102/4885ALDH1A1 1928/4885
US-20100233123-A1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE HCV POLYMERASE INHIBITORS PPP3CB, POLR2E, PSAT1 ELANE 2470/4885MAPT 1176/4885ALDH1A1 1224/4885

“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.