SCHEMBL4229683

SCHEMBL4229683

O=C1c2ccc(Cl)cc2C(=O)c2cc(Cl)ccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.80
HSP90AA1 P07900 1/20 0.63
PPOX P50336 1/20 0.56
CES1 P23141 2/20 0.50
TGM2 P21980 1/20 0.50
ESR1 P03372 1/20 0.50
MAOA P21397 1/20 0.50
UGT1A1 P22309 1/20 0.50
MAOB P27338 1/20 0.50
ESR2 Q92731 1/20 0.50
ITGA1 P56199 1/20 0.49
USP8 P40818 2/20 0.48
USP7 Q93009 2/20 0.48
USP47 Q96K76 1/20 0.48
METAP1 P53582 1/20 0.47
PTPN1 P18031 1/20 0.46
ELANE P08246 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 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
SCHEMBL353693 1.00 S100A4 (0.80) S100A4HSP90AA1PPOXCES1TGM2
SCHEMBL1133148 0.94 S100A4 (0.90) S100A4HSP90AA1PPOXCES1TGM2
SCHEMBL30345128 0.94 S100A4 (0.90) S100A4HSP90AA1PPOXCES1TGM2
SCHEMBL29581505 0.94 S100A4 (0.71) S100A4HSP90AA1PPOXCES1TGM2
SCHEMBL4319897 0.94 S100A4 (0.71) S100A4HSP90AA1PPOXCES1TGM2
SCHEMBL29378883 0.93 S100A4 (0.87) S100A4HSP90AA1PPOXCES1MAOA
SCHEMBL155593 0.93 S100A4 (0.87) S100A4HSP90AA1PPOXCES1MAOA
Anthraquinone SCHEMBL10531854 0.93 S100A4 (0.87) S100A4HSP90AA1PPOXCES1MAOA
SCHEMBL38651099 0.91 S100A4 (0.91) S100A4HSP90AA1PPOXCES1MAOA
SCHEMBL301388 0.91 S100A4 (0.91) S100A4HSP90AA1PPOXCES1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693746-A SOLUTION POLYMERIZATION IN THE PRESENCE OF IODIDE SALT, TRANSITION METAL CATALYST, AND BASE EASTMAN CHEMICAL COMPANY (US) 1997-12-02 US claimed
US-5672750-A Preparation of aromatic amides from carbon monoxide, an amine and an aromatic chloride EASTMAN CHEMICAL COMPANY (US) 1997-09-30 US claimed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
US-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-10-15 US disclosed
EP-2096108-A1 Novel organic electroluminescent compounds and organic electroluminscent device using the same Gracel Display Inc. (KR) 2009-09-02 EP disclosed
EP-2096108-A1 Novel organic electroluminescent compounds and organic electroluminscent device using the same Gracel Display Inc. (KR) 2009-09-02 EP disclosed
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
EP-2067766-A1 Green electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-10 EP disclosed
EP-0274458-B1 ANTHRAQUINONE VAT DYESTUFFS, THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1990-09-19 EP disclosed
EP-0274356-B1 VATTABLE 2-ARYL-4,6-DIAMINOPYRIMIDINE CIBA-GEIGY AG (CH) 1990-05-16 EP disclosed
US-4845220-A Vattable 2-aryl-4,6-diaminopyrimidines CIBA-GEIGY CORPORATION 1989-07-04 US disclosed
EP-0274356-A1 Vattable 2-aryl-4,6-diaminopyrimidine CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
EP-0274458-A1 Anthraquinone vat dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed
US-4355012-A Mixed anthraquinonedisulfonic acids AMERICAN COLOR & CHEMICAL CORPORATION (US) 1982-10-19 US disclosed
US-4250063-A COORDINATION CATALYST COMPRISING AN ORGANIC COMPLEX OF TUNGSTEN OR MOLYBDENUM, A TITANIUM TETRAHALIDE, AND AN N-HALO IMIDE, A SULFIDE, A SULFOXIDE, OR A PHOSPHINE; POLYALKENAMERS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-02-10 US disclosed
US-3972881-A VAT, CELLULOSE CIBA-GEIGY CORPORATION (US) 1976-08-03 US disclosed
US-3935208-A NATURAL OR REGENERATED CELLULOSE ALTERMATT HANS 1976-01-27 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-20090256468-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same ORMDL3, OCIAD1, OCIAD2 S100A4 3910/4885HSP90AA1 4824/4885PPOX 75/4885
US-20090153039-A1 Green electroluminescent compounds and organic electroluminescent device using the same C1S, ACSL3, CCNL2 S100A4 2476/4885HSP90AA1 4255/4885PPOX 1752/4885

“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.