SCHEMBL8962574

SCHEMBL8962574

C=C(C)C(=O)OCCCCCCCCCCCOc1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
POLB P06746 1/20 1.00
APEX1 P27695 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
TSHR P16473 2/20 0.63
TP53 P04637 1/20 0.63
PLA2G4B P0C869 6/20 0.61
RARB P10826 3/20 0.58
GAA P10253 1/20 0.57
PLA2G4A P47712 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL8682933 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL10428187 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL10428461 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL8678901 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL1309117 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL9952684 1.00 HTT (1.00) HTTPOLBAPEX1TDP1TSHR
SCHEMBL11467186 0.99 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
Hydrochloric Acid SCHEMBL6450158 0.99 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
SCHEMBL2034725 0.98 HTT (0.97) HTTPOLBAPEX1TDP1TSHR
SCHEMBL9105115 0.96 HTT (0.92) HTTPOLBAPEX1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-11-29 US disclosed
EP-2460788-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-5554706-A LOW TEMPERATURE LIQUID CRYSTALS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
EP-0695770-A1 COPOLYMER HAVING LIQUID CRYSTAL GROUP IN THE SIDE CHAIN SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-02-07 EP disclosed
EP-0536200-B1 FLUORINE-CONTAINING ACRYLATE AND METHACRYLATE SIDE-CHAIN LIQUID CRYSTAL MONOMERS AND POLYMERS MINNESOTA MINING & MFG (US) 1995-10-11 EP disclosed
US-5252251-A Mesomorphic polymer, monomeric mesomorphic compounds, liquid crystal composition and liquid crystal device CANON KABUSHIKI KAISHA (JP) 1993-10-12 US disclosed
EP-0536200-A1 FLUORINE-CONTAINING ACRYLATE AND METHACRYLATE SIDE-CHAIN LIQUID CRYSTAL MONOMERS AND POLYMERS. MINNESOTA MINING & MFG (US) 1993-04-14 EP disclosed
EP-0376310-B1 MESOMORPHIC POLYMER, MONOMERIC MESOMORPHIC COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE CANON KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
US-5087672-A Lower birefringence and viscosity, increased hydrophobicity MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1992-02-11 US disclosed
WO-1991019773-A1 FLUORINE-CONTAINING ACRYLATE AND METHACRYLATE SIDE-CHAIN LIQUID CRYSTAL MONOMERS AND POLYMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-12-26 WO disclosed
US-4496734-A Metabolite RIKER LABORATORIES, INC. (US) 1985-01-29 US disclosed
US-4491584-A ANTIARRHYTHMIA AGENTS RIKER LABORATORIES (US) 1985-01-01 US disclosed
US-4452983-A N-(2-PIPERIDYLMETHYL)-2,2,2-TRIFLUOROETHOXY)-BENZAMIDE RIKER LABORATORIES, INC. (US) 1984-06-05 US disclosed
US-4390716-A INTERMEDIATES FOR ANTIARRHYTHMIC BENZAMIDE COMPOUNDS RIKER LABORATORIES, INC. (US) 1983-06-28 US disclosed
US-4339587-A ANTIARRHYTHMIA AGENTS RIKER LABORATORIES, INC. (US) 1982-07-13 US disclosed
US-4154941-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1979-05-15 US disclosed
US-4097481-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1978-06-27 US disclosed
US-4071524-A Derivatives of urea RIKER LABORATORIES, INC. (US) 1978-01-31 US disclosed
US-4013670-A ANTIARRHYTHMICS RIKER LABORATORIES, INC. (US) 1977-03-22 US disclosed
US-4005209-A Antiarrhythmic method utilizing fluoroalkoxy-N-piperidyl and pyridyl benzamides RIKER LABORATORIES, INC. (US) 1977-01-25 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 (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-20120298932-A1 METAL COMPLEX, COMPOSITION COMPRISING SAME AND LIGHT-EMITTING ELEMENT USING SAME C1S, AP3M1, AP1M1 HTT 3049/4885POLB 3800/4885APEX1 308/4885

“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.