SCHEMBL2039752

SCHEMBL2039752

C[Si](C)=[Ti](Cl)(Cl)(NC(=O)C1CCCCCCCCCCC1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2036882 0.89 HPGD (0.40) CYP2C19HPGDHDAC1HDAC2P2RX7
SCHEMBL2036091 0.86 HPGD (0.42) CYP2C19HPGDHDAC1HDAC2SMN1; SMN2
SCHEMBL2035442 0.82 CYP2C19 (0.45) CYP2C19HPGDHDAC1HDAC2P2RX7
SCHEMBL2039367 0.78 HPGD (0.43) CYP2C19HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL2046038 0.76 KMT2A (0.41) HPGDHDAC1HDAC2SMN1; SMN2HDAC3
Hydrochloric Acid SCHEMBL2040601 0.69 CYP2C19 (0.43) CYP2C19HPGDHDAC1HDAC2P2RX7
SCHEMBL6471495 0.69 CYP2C19 (0.38) CYP2C19HPGDHDAC1HDAC2P2RX7
SCHEMBL7053519 0.68 HDAC8 (0.54) HPGDP2RX7SMN1; SMN2
Hydrochloric Acid SCHEMBL2033382 0.68 CYP2C19 (0.44) CYP2C19HPGDHDAC1HDAC2P2RX7
SCHEMBL2033385 0.67 CYP2C19 (0.43) CYP2C19HPGDHDAC1HDAC2P2RX7

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 CYP2C19 4717/4885HPGD 4503/4885HDAC1 4063/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 CYP2C19 4731/4885HPGD 4535/4885HDAC1 4331/4885

“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.