SCHEMBL2035442

SCHEMBL2035442

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.43
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CETP P11597 1/20 0.40
HDAC3 O15379 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
P2RX7 Q99572 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
OPRM1 P35372 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL2039752 0.82 CYP2C19 (0.43) CYP2C19HPGDHDAC1HDAC2CETP
SCHEMBL2039367 0.80 HPGD (0.43) CYP2C19HPGDALDH1A1LMNARAB9A
SCHEMBL2036091 0.79 HPGD (0.42) CYP2C19HPGDHDAC1HDAC2CETP
SCHEMBL2036882 0.77 HPGD (0.40) CYP2C19HPGDHDAC1HDAC2ALDH1A1
SCHEMBL2036835 0.74 MEN1 (0.41) HDAC1HDAC2HDAC3ALDH1A1LMNA
Hydrochloric Acid SCHEMBL2035441 0.69 CYP2C19 (0.46) CYP2C19HPGDHDAC1HDAC2CETP
SCHEMBL2033385 0.68 CYP2C19 (0.43) CYP2C19HPGDHDAC1HDAC2CETP
SCHEMBL6471495 0.68 CYP2C19 (0.38) CYP2C19HPGDHDAC1HDAC2P2RX7
Butadiene SCHEMBL8677363 0.68 CYP2C19 (0.42) CYP2C19HPGDHDAC1HDAC2CETP
Butadiene SCHEMBL8463476 0.67 CYP2C19 (0.41) CYP2C19HPGDHDAC1HDAC2CETP

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.