SCHEMBL4665238

SCHEMBL4665238

CCCCO[Ti](=O)O.O=[Ti](O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 4/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
LPAR3 Q9UBY5 3/20 0.32
LPAR1 Q92633 2/20 0.32
LPAR2 Q9HBW0 2/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL123689 0.97
Ethylene SCHEMBL9396402 0.93 TSHR (0.43) ALDH1A1TSHRHPGDATMCYP3A4
SCHEMBL1502760 0.90
Phosphoric Acid SCHEMBL18831992 0.89 CYP3A4 (0.43) ALDH1A1TSHRHPGDCYP3A4LPAR3
SCHEMBL6228161 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL6839829 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL4187150 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL50531 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL6229650 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2
SCHEMBL648493 0.88 LPAR3 (0.45) ALDH1A1TSHRCYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102974264-A Dispersants LUBRIZOL ADVANCED MAT INC 2013-03-20 CN disclosed
CN-101940890-B Dispersants THETFORD DEAN 2013-01-02 CN disclosed
CN-1437504-B Dispersing agent AVECIA LIMITEA 2011-11-02 CN disclosed
CN-101940890-A Dispersant DEAN THETFORD 2011-01-12 CN disclosed
US-20080167489-A1 Process for producing carbamoyloxy (meth) acrylates and new carbamoyloxy (meth) acrylates STONE VINCENT 2008-07-10 US disclosed
CN-101175558-A Dispersing agent NOVEON INC (US) 2008-05-07 CN disclosed
US-7329773-B2 Process for producing carbamoyloxy (meth) acrylates and new carbamoyloxy (meth)acrylates SURFACE SPECIALTIES, S.A. (BE) 2008-02-12 US disclosed
CN-1846833-A Dispersants AVECIA LTD (US) 2006-10-18 CN disclosed
US-20060058549-A1 Process for producing carbamoyloxy (meth) acrylates and new carbamoyloxy (meth)acrylates SURFACE SPECIALTIES, S.A. (BE) 2006-03-16 US disclosed
EP-1575909-A1 PROCESS FOR PRODUCING CARBAMOYLOXY (METH)ACRYLATES AND NEW CARBAMOYLOXY (METH)ACRYLATES SURFACE SPECIALTIES, S.A. (BE) 2005-09-21 EP disclosed
WO-2004052843-A1 PROCESS FOR PRODUCING CARBAMOYLOXY (METH)ACRYLATES AND NEW CARBAMOYLOXY (METH)ACRYLATES SURFACE SPECIALTIES, S.A. (BE) 2004-06-24 WO disclosed
CN-1437504-A Dispersing agent AVECIA LIMITEA (GB) 2003-08-20 CN disclosed
US-4681636-A T-BUTYLPEROXYSILANE, DI- OR POLYALKOXY SILICON COMPOUND, ORGANOTITANATE ESTER, SOLVENT TORAY SILICONE CO., LTD. (JP) 1987-07-21 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 (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-20080167489-A1 Process for producing carbamoyloxy (meth) acrylates and new carbamoyloxy (meth) acrylates NAT10, CNOT9, MMAB ALDH1A1 1398/4885TSHR 685/4885HPGD 3322/4885
US-20060058549-A1 Process for producing carbamoyloxy (meth) acrylates and new carbamoyloxy (meth)acrylates NAT10, CNOT9, MMAB ALDH1A1 1398/4885TSHR 685/4885HPGD 3322/4885

“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.