SCHEMBL5873277

SCHEMBL5873277

CCCCOCCOCC/C=C(\C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.39
EP300 Q09472 1/20 0.39
RARB P10826 2/20 0.39
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
GRIK1 P39086 1/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
EPHX2 P34913 1/20 0.34
RARA P10276 1/20 0.34

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
SCHEMBL262089 1.00 TSHR (0.41) TSHRCYP3A4ALDH1A1CES2EP300
SCHEMBL474889 0.98 TSHR (0.42) TSHRCYP3A4ALDH1A1CES2EP300
SCHEMBL209322 0.98 TSHR (0.42) TSHRCYP3A4ALDH1A1CES2EP300
SCHEMBL5830404 0.93 CES2 (0.47) TSHRCES2EP300MEN1THRB
SCHEMBL25222990 0.91 CES2 (0.50) TSHRCES2EP300MEN1THRB
SCHEMBL5386604 0.91 CES2 (0.50) TSHRCES2EP300MEN1THRB
SCHEMBL7092774 0.91 CES2 (0.50) TSHRCES2EP300MEN1THRB
SCHEMBL5382943 0.91 CES2 (0.50) TSHRCES2EP300MEN1THRB
SCHEMBL5399497 0.91 CES2 (0.50) TSHRCES2EP300MEN1THRB
SCHEMBL15544384 0.91 EP300 (0.44) TSHRCYP3A4ALDH1A1CES2EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7025816-B2 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2006-04-11 US disclosed
US-20050103226-A1 Anthraquinone dye and inkjet recording liquid KONICA MINOLTA HOLDINGS, INC. (JP) 2005-05-19 US disclosed
EP-1192220-B1 IMPROVED POLY(METH)ACRYLATE PLASTISOLS AND METHOD FOR PRODUCING THE SAME ROEHM GMBH (DE) 2004-02-18 EP disclosed
EP-0947558-B1 Poly(meth)acrylic resins with high molecular weight for use in plastisols ROEHM GMBH (DE) 2003-08-20 EP disclosed
US-6498209-B1 EMULSION POLYMERIZED HOMOPOLYMERS OR COPOLYMERS; SUPERIOR SHELF LIFE, TENSILE STRENGTH EXTENSIBILITY, VISCOSITY, GEL FORMATION AND FILM FORMING ROEHM GMBH & CO. KG (DE) 2002-12-24 US disclosed
EP-0823656-B1 Silver halide photographic light sensitive material KONISHIROKU PHOTO IND (JP) 2002-04-10 EP disclosed
US-6340562-B1 HIGH SENSITIVITY, LOW FOG AND EXCELLENT PRESSURE RESISTANCE KONICA CORPORATION (JP) 2002-01-22 US disclosed
EP-0477708-B1 Thermically film forming matter based on polymethacrylate and plasticized by addition of plasticizer ROEHM GMBH (DE) 1997-04-23 EP disclosed
EP-0471258-B1 Process for preparing homooligomers and cooligomers ROEHM GMBH (DE) 1996-10-16 EP disclosed
EP-0612788-A1 Improved plastisols Röhm GmbH (DE) 1994-08-31 EP disclosed
US-5120637-A Storage stability FUJI PHOTO FILM CO., LTD. (JP) 1992-06-09 US disclosed
EP-0477708-A2 Thermically film forming matter based on polymethacrylate and plasticized by addition of plasticizer RÖHM GMBH (DE) 1992-04-01 EP disclosed
EP-0471258-A2 Process for preparing homooligomers and cooligomers Röhm GmbH (DE) 1992-02-19 EP disclosed
EP-0332165-A2 Silver halide color reversal photographic light-sensitive material Fuji Photo Film Co., Ltd. (JP) 1989-09-13 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-20050103226-A1 Anthraquinone dye and inkjet recording liquid MLLT3, GNPAT, IK TSHR 4871/4885CYP3A4 1858/4885ALDH1A1 154/4885

“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.