SCHEMBL2033385

SCHEMBL2033385

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
P2RX7 Q99572 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
CETP P11597 1/20 0.38
HDAC3 O15379 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX12 P18054 1/20 0.37
LMNA P02545 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
CCKAR P32238 1/20 0.36
CCKBR P32239 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
SCHEMBL7630771 0.78 CYP2C19 (0.40) CYP2C19HPGDALDH1A1KDM4EP2RX7
SCHEMBL2037712 0.76 KMT2A (0.41) HPGDALDH1A1KDM4EGAAHDAC1
SCHEMBL2053778 0.70 GPR3 (0.32) MEN1KMT2A
Hydrochloric Acid SCHEMBL7753199 0.68 CYP2C19 (0.45) CYP2C19HPGDALDH1A1KDM4EP2RX7
SCHEMBL2035442 0.68 CYP2C19 (0.45) CYP2C19HPGDALDH1A1P2RX7SMN1; SMN2
Butadiene SCHEMBL8463476 0.68 CYP2C19 (0.41) CYP2C19HPGDALDH1A1KDM4EP2RX7
SCHEMBL8463296 0.68 CYP2C19 (0.41) CYP2C19HPGDALDH1A1KDM4EP2RX7
Hydrochloric Acid SCHEMBL2035441 0.67 CYP2C19 (0.46) CYP2C19HPGDALDH1A1KDM4EP2RX7
SCHEMBL2039752 0.67 CYP2C19 (0.43) CYP2C19HPGDALDH1A1KDM4EP2RX7
SCHEMBL7753151 0.66 NPC1 (0.40) CYP2C19HPGDALDH1A1KDM4EP2RX7

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 4503/4885ALDH1A1 4882/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 CYP2C19 4731/4885HPGD 4535/4885ALDH1A1 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.