SCHEMBL2039367

SCHEMBL2039367

O=C(N[Ti](Cl)(Cl)(=C(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21)C1CCCCCCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 5/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.38
EPHX2 P34913 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABCG2 Q9UNQ0 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
SCHEMBL2033418 0.80 MEN1 (0.40) ALDH1A1GAAHTTRAB9ASMN1; SMN2
SCHEMBL2035442 0.80 CYP2C19 (0.45) HPGDCYP2C19ALDH1A1GAARAB9A
SCHEMBL2039752 0.78 CYP2C19 (0.43) HPGDCYP2C19ALDH1A1SMN1; SMN2LMNA
SCHEMBL2036091 0.77 HPGD (0.42) HPGDCYP2C19ALDH1A1GAARAB9A
SCHEMBL2036882 0.75 HPGD (0.40) HPGDCYP2C19ALDH1A1LMNAABCG2
Hydrochloric Acid SCHEMBL2039364 0.69 KCNK3 (0.44) HPGDCYP2C19ALDH1A1KCNK3KCNK9
SCHEMBL6905916 0.67 MAPT (0.34) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL10582886 0.67 ALDH1A1 (0.68) HPGDCYP2C19ALDH1A1KCNK3KCNK9
SCHEMBL2036835 0.65 MEN1 (0.41) ALDH1A1GAAHTTRAB9ALMNA
SCHEMBL4266412 0.65 KCNK3 (0.61) HPGDALDH1A1ALOX12KCNK3KCNK9

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 HPGD 4503/4885CYP2C19 4717/4885ALDH1A1 4882/4885
US-20110160502-A1 Process for Producing Novel Synthetic Basestocks PYM1, SPIN4, SCO2 HPGD 4535/4885CYP2C19 4731/4885ALDH1A1 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.