SCHEMBL2033418

SCHEMBL2033418

O=C(N[Ti](Cl)(Cl)(=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
ABL1 P00519 1/20 0.39
CASP3 P42574 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL2036835 0.81 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2039367 0.80 HPGD (0.43) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL2046038 0.78 KMT2A (0.41) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL2035134 0.76 MEN1 (0.37) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6905916 0.74 MAPT (0.34) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL29124181 0.67 KMT2A (0.75) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL30735994 0.67 KMT2A (0.75) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL6911188 0.64
SCHEMBL27817527 0.63 PPIA (0.66) MEN1KMT2ALMNA
SCHEMBL400890 0.62 RAB9A (0.77) MEN1KMT2AALDH1A1POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701595-B2 Process for producing novel synthetic basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-07-11 US disclosed
EP-2516598-B1 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEM PATENTS INC (US) 2016-06-29 EP disclosed
US-8530712-B2 Process for producing novel synthetic basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
US-20130131410-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-05-23 US disclosed
EP-2516598-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS Exxonmobil Chemical Patents Inc. (US) 2012-10-31 EP disclosed
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-30 US disclosed
WO-2011079042-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-06-30 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-20130131410-A1 Process for Producing Novel Synthetic Basestocks PYM1, SCO2, SPIN4 MEN1 2463/4885KMT2A 3597/4885MAPT 2583/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 MEN1 2848/4885KMT2A 4148/4885MAPT 2495/4885

“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.