SCHEMBL3758910

SCHEMBL3758910

COc1ccc(C(=O)C(=O)c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.76
CYP2C9 P11712 2/20 0.76
CYP2C19 P33261 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
CA12 O43570 1/20 0.73
CA1 P00915 1/20 0.73
CA2 P00918 1/20 0.73
CA4 P22748 1/20 0.73
CA6 P23280 1/20 0.73
CA7 P43166 1/20 0.73
TPMT P51580 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
MEN1 O00255 1/20 0.70
RAB9A P51151 1/20 0.70
KMT2A Q03164 1/20 0.70
MAPT P10636 6/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
POLB P06746 1/20 0.70

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
SCHEMBL29618985 1.00 TSHR (0.76) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL31327211 0.90 CES2 (0.67) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL13082597 0.90 TSHR (0.63) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL17077317 0.90 MAPT (0.69) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL339242 0.90 CA12 (0.71) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL12695696 0.89 TSHR (0.61) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL11347666 0.89 CES2 (0.65) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL27468173 0.88 CA12 (0.69) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL13890438 0.88 TSHR (0.66) TSHRCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL1493250 0.86 CYP1A2 (1.00) TSHRCYP2C9CYP2C19CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143591-A Benzyl benzoyl or fluoro alkane substituted phenol compound and synthetic method and application thereof 河北中医药大学 2024-12-17 CN claimed
CN-119143591-A Benzyl benzoyl or fluoro alkane substituted phenol compound and synthetic method and application thereof 河北中医药大学 2024-12-17 CN disclosed
US-9040647-B2 Photochromic material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-05-26 US disclosed
EP-2511307-B1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2014-07-23 EP disclosed
EP-2511307-A1 PHOTOCHROMIC MATERIAL Mitsubishi Gas Chemical Company, Inc. (JP) 2012-10-17 EP disclosed
US-20120245317-A1 PHOTOCHROMIC MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-09-27 US disclosed
CN-102295548-A Method for preparing di-(3,4-dimethoxy phenyl) ethyldione in ionic liquid 2011-12-28 CN disclosed
CN-102295548-A Method for preparing di-(3,4-dimethoxy phenyl) ethyldione in ionic liquid 2011-12-28 CN disclosed
EP-2397468-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD Abe, Jiro (JP) 2011-12-21 EP disclosed
EP-2397468-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD Abe, Jiro (JP) 2011-12-21 EP disclosed
US-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
US-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 WO 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-20110306743-A1 NOVEL CROSSLINKED HEXAARYL BISIMIDAZOLE COMPOUND AND DERIVATIVE THEREOF, METHOD FOR PRODUCING THE COMPOUND AND PRECURSOR COMPOUND TO BE USED IN THE PRODUCTION METHOD CDKL1, CDKL2, CDK4 TSHR 2361/4885CYP2C9 400/4885CYP2C19 515/4885
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 TSHR 4527/4885CYP2C9 3238/4885CYP2C19 3481/4885

“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.