SCHEMBL2053672

SCHEMBL2053672

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
GPR3 P46089 1/20 0.32
HTR2A P28223 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
SCHEMBL2050883 0.83 MEN1 (0.30)
SCHEMBL2049917 0.78 GPR3 (0.34) BCHEACHEGPR3HTR2A
SCHEMBL15334239 0.77
SCHEMBL29171497 0.74 KMT2A (0.33) BCHEACHEGPR3
SCHEMBL16395651 0.74
SCHEMBL2046038 0.73 KMT2A (0.41)
SCHEMBL2053497 0.71 MEN1 (0.32) BCHEACHE
Hydrochloric Acid SCHEMBL2053673 0.70 GPR3 (0.33) BCHEACHEGPR3
SCHEMBL2039752 0.69 CYP2C19 (0.43)
SCHEMBL28436475 0.69 GPR3 (0.32) BCHEACHEGPR3

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 BCHE 4435/4885ACHE 4878/4885GPR3 2955/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 BCHE 4504/4885ACHE 4882/4885GPR3 3124/4885

“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.