SCHEMBL1808650

SCHEMBL1808650

Cc1ccc(C)c(S(=O)(=O)O)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
ELANE P08246 3/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
RECQL P46063 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
CYP3A4 P08684 1/20 0.37
NT5E P21589 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BRD4 O60885 1/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL5202112 0.86 TRPA1 (0.38) ALDH1A1ELANEGAATDP1HPGD
SCHEMBL11764661 0.86 BRD4 (0.41) ALDH1A1ELANEGAATDP1HPGD
SCHEMBL19194608 0.86 TRPA1 (0.38) ALDH1A1ELANEGAATDP1HPGD
SCHEMBL16343725 0.85 ALDH1A1 (0.41) ALDH1A1GAATDP1HPGDHSD17B10
SCHEMBL8367649 0.85 MEN1 (0.37) ALDH1A1GAATDP1HPGDHSD17B10
SCHEMBL9211904 0.83 ALDH1A1 (0.38) ALDH1A1ELANEGAATDP1HPGD
SCHEMBL6262028 0.81 GABRA1 (0.39) ALDH1A1ELANETDP1HPGDHSD17B10
SCHEMBL30858733 0.80 FABP3 (0.47) ALDH1A1ELANEGAAHPGDHSD17B10
SCHEMBL8926663 0.80 FABP3 (0.47) ALDH1A1GAAHPGDHSD17B10TP53
SCHEMBL28018875 0.80 CYP2D6 (0.49) ALDH1A1TDP1HPGDHSD17B10CYP3A4

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-1029893-B1 Resin composition NICHIAS CORP (JP) 2004-12-01 EP claimed
EP-0216505-B1 POLYIMIDES, PREPARATION OF POLYIMIDES AND BLENDS OF POLYIMIDES ROHM AND HAAS COMPANY (US) 1993-02-24 EP claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
EP-1856034-A1 METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES Clariant Produkte (Deutschland) GmbH (DE) 2007-11-21 EP disclosed
WO-2006092247-A1 METHOD FOR PRODUCING BIFUNCTIONAL AMMONIUM NITRILES CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-09-08 WO disclosed
EP-0431387-B1 Basic polysaccharides WOLFF WALSRODE AG (DE) 1995-09-06 EP disclosed
EP-0367003-B1 Polysaccharides, process for their preparation and their use WOLFF WALSRODE AG (DE) 1994-06-15 EP disclosed
EP-0512319-A2 Process for preparing carbonic acid derivatives of polysaccharides Wolff Walsrode Aktiengesellschaft (DE) 1992-11-11 EP disclosed
EP-0431387-A1 Basic polysaccharides Wolff Walsrode Aktiengesellschaft (DE) 1991-06-12 EP disclosed
EP-0367003-A1 Polysaccharides, process for their preparation and their use Wolff Walsrode Aktiengesellschaft (DE) 1990-05-09 EP disclosed
EP-0042054-A1 1-Amino-3-phenyl indoles, their salts and medicaments containing them SIEGFRIED AKTIENGESELLSCHAFT (CH) 1981-12-23 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 (1 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885ELANE 2987/4885GAA 2451/4885

“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.