SCHEMBL7593075

SCHEMBL7593075

OC(/C=C/c1ccccc1)/C=C/c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
MAOB P27338 2/20 0.50
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL7593078 1.00 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL155214 0.86 CYP1A2 (0.50) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL526122 0.86 ALDH1A1 (0.48) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL13759882 0.86 ALDH1A1 (0.48) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL7898779 0.84 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL7898789 0.84 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL1945785 0.84 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL229462 0.84 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL7898790 0.84 CYP1A2 (0.52) CYP1A2MAOBCYP3A4ALDH1A1LMNA
SCHEMBL18289964 0.83 MAOB (0.64) CYP1A2MAOBCYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63208558-A None JP disclosed
US-8436197-B2 Palladium complexes and polymerization and coupling processes thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION (US) 2013-05-07 US disclosed
US-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof WEST CHESTER UNIVERSITY OF PENNSYLVANIA OF THE STATE SYSTEM OF HIGHER EDUCATION 2009-04-30 US disclosed
US-6444415-B1 HEAT DEVELOPMENT KONICA CORPORATION (JP) 2002-09-03 US disclosed
US-20020110767-A1 Silver halide light-sensitive material containing a specific dye TANAKA SHINRI (JP) 2002-08-15 US disclosed
US-6342340-B1 THIOPYRYLIUM SQUARYLIUM DYE, EXCELLENT IN SOLUBILITY, KONICA CORPORATION (JP) 2002-01-29 US disclosed
EP-0994381-A1 A silver halide light-sensitive material containing a specific dye KONICA CORPORATION (JP) 2000-04-19 EP disclosed
EP-0356532-B1 PENTADIENE COMPOUND AND RECORDING MATERIAL USING THE COMPOUND HODOGAYA CHEMICAL CO., LTD. (JP) 1993-03-10 EP disclosed
US-4912259-A Pentadiene amino compound HODOGAYA CHEMICAL CO., LTD. (JP) 1990-03-27 US disclosed
EP-0356532-A1 Pentadiene compound and recording material using the compound HODOGAYA CHEMICAL CO., LTD. (JP) 1990-03-07 EP disclosed
JP-S63208558-A PENTADIENE COMPOUND AND RECORDING MATERIAL USING SAID COMPOUND HODOGAYA CHEM CO LTD 1988-08-30 JP 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-20090111962-A1 Palladium Complexes and Polymerization and Coupling Processes Thereof DDT, PDCD2L, PDCD1LG2 CYP1A2 3534/4885MAOB 1242/4885CYP3A4 1199/4885

“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.