SCHEMBL2053497

SCHEMBL2053497

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ATM Q13315 2/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30

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 0.77 MEN1 (0.40) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL2049917 0.74 GPR3 (0.34) MEN1KMT2AATMPOLBBCHE
SCHEMBL6905916 0.74 MAPT (0.34) MEN1KMT2AATMMAPTLMNA
SCHEMBL29171497 0.71 KMT2A (0.33) MEN1KMT2AATMPOLBBCHE
SCHEMBL2053672 0.71 BCHE (0.33) BCHEACHE
SCHEMBL2050883 0.71 MEN1 (0.30) MEN1KMT2AATMPOLB
SCHEMBL2039367 0.70 HPGD (0.43) MEN1KMT2ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2053673 0.67 GPR3 (0.33) MEN1KMT2AATMPOLBBCHE
SCHEMBL6465444 0.67 BCHE (0.31) KMT2ABCHEACHE
SCHEMBL6067364 0.67

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 3597/4885ATM 2240/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 MEN1 2848/4885KMT2A 4148/4885ATM 1837/4885

“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.