SCHEMBL546299

SCHEMBL546299

C=CCO[Ti](O)(O)OCCCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.41
HCAR2 Q8TDS4 2/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAPT P10636 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
LPAR3 Q9UBY5 5/20 0.31
LPAR2 Q9HBW0 4/20 0.31
LPAR1 Q92633 2/20 0.31
NAAA Q02083 1/20 0.31

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
SCHEMBL10477083 0.81 THRB (0.44) TSHRHCAR2ALDH1A1MEN1THRB
SCHEMBL414710 0.81 THRB (0.44) TSHRHCAR2ALDH1A1MEN1THRB
SCHEMBL2789915 0.76 TSHR (0.42) TSHRHCAR2ALDH1A1HPGDMEN1
SCHEMBL6268184 0.75 THRB (0.40) TSHRHCAR2MEN1THRBHTT
SCHEMBL11064045 0.74 TSHR (0.37) TSHRHCAR2ALDH1A1HPGDMEN1
SCHEMBL9779569 0.72 TSHR (0.36) TSHRALDH1A1HPGDMEN1KMT2A
SCHEMBL89068 0.70
Alcohol SCHEMBL8078156 0.69 MEN1 (0.48) TSHRALDH1A1MEN1THRBHTT
SCHEMBL5681526 0.69 MEN1 (0.46) TSHRALDH1A1MEN1THRBHTT
SCHEMBL2340995 0.69 MEN1 (0.48) TSHRALDH1A1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257520-B1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECH (US) 2018-08-22 EP disclosed
EP-2459511-B1 PROCESS FOR PRODUCING DIPHENYL CARBONATE SHELL INT RESEARCH (NL) 2016-04-27 EP disclosed
US-8569534-B2 Process for producing diphenyl carbonate SHELL OIL COMPANY (US) 2013-10-29 US disclosed
US-8415495-B2 Process for continuous production of organic carbonates or organic carbamates and solid catalysts therefore CATALYTIC DISTILLATION TECHNOLOGIES (US) 2013-04-09 US disclosed
US-8361919-B2 Process for continuous production of organic carbonates or organic carbamates and solid catalysts therefore CATALYTIC DISTILLATION TECHNOLOGIES (US) 2013-01-29 US disclosed
US-20120190878-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE SHELL OIL COMPANY (US) 2012-07-26 US disclosed
US-8222444-B2 Process for continuous production of organic carbonates or organic carbamates and solid catalysts therefore CATALYTIC DISTILLATION TECHNOLOGIES (US) 2012-07-17 US disclosed
EP-2459511-A2 PROCESS FOR PRODUCING DIPHENYL CARBONATE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2012-06-06 EP disclosed
US-8110698-B2 Process for producing diphenyl carbonate SHELL OIL COMPANY (US) 2012-02-07 US disclosed
US-20110098499-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-04-28 US disclosed
US-20110045965-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-24 US disclosed
US-20110046409-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-24 US disclosed
WO-2011014374-A2 PROCESS FOR PRODUCING DIPHENYL CARBONATE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2011-02-03 WO disclosed
US-7851645-B2 Process for continuous production of organic carbonates or organic carbamates and solid catalysts therefore CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-12-14 US disclosed
EP-2257520-A2 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE Catalytic Distillation Technologies (US) 2010-12-08 EP disclosed
US-20100197952-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-08-05 US disclosed
WO-2009102556-A2 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2009-08-20 WO disclosed
US-20090203933-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CATALYTIC DISTILLATION TECHNOLOGIES (US) 2009-08-13 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 (5 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-20100197952-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE CA3, DAGLA, CA2 TSHR 4878/4885HCAR2 1985/4885ALDH1A1 1896/4885
US-20110046409-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885HCAR2 3300/4885ALDH1A1 852/4885
US-20090203933-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885HCAR2 3300/4885ALDH1A1 852/4885
US-20110098499-A1 PROCESS FOR CONTINUOUS PRODUCTION OF ORGANIC CARBONATES OR ORGANIC CARBAMATES AND SOLID CATALYSTS THEREFORE CA14, CA4, ADH1C TSHR 2086/4885HCAR2 3300/4885ALDH1A1 852/4885
US-20120190878-A1 PROCESS FOR PRODUCING DIPHENYL CARBONATE CA3, DAGLA, CA2 TSHR 4878/4885HCAR2 1985/4885ALDH1A1 1896/4885

“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.