SCHEMBL2036835

SCHEMBL2036835

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
CASP3 P42574 1/20 0.40
GALK1 P51570 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL2033418 0.81 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2046038 0.79 KMT2A (0.41) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2035134 0.77 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL2035442 0.74 CYP2C19 (0.45) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL2049917 0.69 GPR3 (0.34) MEN1KMT2AALDH1A1POLBHDAC3
SCHEMBL6902436 0.68 GPR3 (0.38) MEN1KMT2APOLBHDAC3HDAC7
SCHEMBL30735994 0.68 KMT2A (0.75) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL6905916 0.68 MAPT (0.34) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29124181 0.68 KMT2A (0.75) MEN1KMT2AALDH1A1MAPTL3MBTL1
Hydrochloric Acid SCHEMBL2036834 0.66 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTL3MBTL1

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
WO-2011079042-A2 PROCESS FOR PRODUCING NOVEL SYNTHETIC BASESTOCKS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-06-30 WO disclosed
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks EXXONMOBIL CHEMICAL PATENTS INC. 2011-06-30 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-20130131410-A1 Process for Producing Novel Synthetic Basestocks PYM1, SCO2, SPIN4 MEN1 2463/4885KMT2A 3597/4885ALDH1A1 4882/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 MEN1 2848/4885KMT2A 4148/4885ALDH1A1 4881/4885

“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.