SCHEMBL5481094

SCHEMBL5481094

O=C(O)COc1c(C(=O)O)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
WDR5 P61964 1/20 0.54
LDHA P00338 1/20 0.53
PTPN7 P35236 1/20 0.50
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
PTPN1 P18031 2/20 0.47
PTPN2 P17706 1/20 0.47
CTSD P07339 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
CASP8 Q14790 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL30021791 0.87 WDR5 (0.58) KDM4EALDH1A1HPGDTDP1WDR5
SCHEMBL4595460 0.84 WDR5 (0.54) KDM4EALDH1A1HPGDTDP1WDR5
SCHEMBL8817410 0.84 WDR5 (0.54) KDM4EALDH1A1HPGDWDR5LDHA
SCHEMBL11504333 0.83 WDR5 (0.53) KDM4EALDH1A1HPGDTDP1WDR5
SCHEMBL1681386 0.83 WDR5 (0.53) KDM4EALDH1A1WDR5LDHANR4A1
SCHEMBL27926010 0.82 KDM4E (0.58) KDM4EALDH1A1HPGDTDP1PTPN7
SCHEMBL5488648 0.82 KDM4E (0.48) KDM4EALDH1A1HPGDTDP1WDR5
SCHEMBL3927980 0.81 CXCR2 (0.58) KDM4EALDH1A1HPGDWDR5LDHA
SCHEMBL10745159 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDTDP1PTPN7
SCHEMBL7746816 0.80 CNR2 (0.54) TDP1WDR5LDHANR4A1NR4A2

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
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6238842-B1 SUITABLE FOR USE WITH AN EXPOSURE LIGHT HAVING A WAVELENGTH OF 250 NM OR SHORTER, ESPECIALLY 220 NM OR SHORTER; ACID GENERATING COMPOUND; RESIN HAVING MONOVALENT POLYALICYCLIC GROUPS FUJI PHOTO FILM CO., LTD. (JP) 2001-05-29 US disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 EP 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A KDM4E 2096/4885ALDH1A1 955/4885HPGD 419/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 KDM4E 2124/4885ALDH1A1 909/4885HPGD 484/4885

“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.