SCHEMBL5564098

SCHEMBL5564098

CCC(CC)(OO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
KCNN4 O15554 4/20 0.40
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11207278 0.81 MAPK1 (0.48) ALDH1A1ALOX15KCNN4MAPK1CYP2C19
SCHEMBL27278714 0.81 KCNN4 (0.43) ALDH1A1ALOX15KCNN4MAPK1CYP2C19
SCHEMBL13166441 0.79 KCNN4 (0.41) ALDH1A1ALOX15KCNN4MAPK1TAAR1
SCHEMBL24592645 0.77 KCNN4 (0.40) ALDH1A1ALOX15KCNN4MAPK1TAAR1
SCHEMBL11415850 0.77 KCNN4 (0.40) ALDH1A1ALOX15KCNN4MAPK1TAAR1
SCHEMBL704326 0.77 KCNN4 (0.40) ALDH1A1ALOX15KCNN4MAPK1TAAR1
SCHEMBL996408 0.77 MAPK1 (0.40) ALDH1A1ALOX15KCNN4MAPK1CYP2C19
SCHEMBL8846666 0.77 ALDH1A1 (0.38) ALDH1A1ALOX15KCNN4MAPK1CYP2C19
SCHEMBL3890290 0.77 KCNN4 (0.41) ALDH1A1ALOX15KCNN4MAPK1CYP2C19
SCHEMBL9242864 0.77 ALDH1A1 (0.42) ALDH1A1ALOX15CHRM2CYP3A4MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259759-B2 Cyclohexylbenzene composition EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-16 US disclosed
US-20170057895-A1 Phenol Composition EXXONMOBIL CHEMICAL PATENTS INC. 2017-03-02 US disclosed
US-7301038-B2 Process for preparing alkylene oxide (epoxid, oxirane) SHELL OIL COMPANY (US) 2007-11-27 US disclosed
US-7294726-B2 Process for preparing alkylene oxide SHELL OIL COMPANY (US) 2007-11-13 US disclosed
EP-0948403-B1 HETEROGENEOUS CATALYST REGENERATION ARCO CHEM TECH (US) 2005-02-09 EP disclosed
EP-1490347-A1 PROCESS FOR PREPARING ALKYLENE OXIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-12-29 EP disclosed
US-20040210067-A1 Process for preaparing alkylene oxide(epoxid, oxirane) SHELL OIL COMPANY 2004-10-21 US disclosed
EP-1392668-B1 PROCESS FOR PREPARING ALKYLENE OXIDE (EPOXID, OXIRANE) SHELL INT RESEARCH (NL) 2004-09-29 EP disclosed
EP-1392668-A1 PROCESS FOR PREPARING ALKYLENE OXIDE (EPOXID, OXIRANE) SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-03-03 EP disclosed
WO-2003082843-A1 PROCESS FOR PREPARING ALKYLENE OXIDES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2003-10-09 WO disclosed
WO-2002090340-A1 PROCESS FOR PREPARING ALKYLENE OXIDE (EPOXID, OXIRANE) SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-11-14 WO disclosed
EP-1204653-A1 PROCESS FOR PREPARING ALKYLENE OXIDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2002-05-15 EP disclosed
US-6365761-B1 REACTIVATION OF HETEROGENEOUS EPOXIDATION PARTICLES, CONTAINED IN A REACTORS CONNECTED IN A SERIES FOR CONTINOUS PROCESSING BY REPOSITIONING AND CONTACTING WITH WARM EFFLUENT FROM THE PREVIOUS REACTOR SHELL OIL COMPANY 2002-04-02 US disclosed
WO-2001012617-A1 PROCESS FOR PREPARING ALKYLENE OXIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-02-22 WO disclosed
EP-0948403-A1 HETEROGENEOUS CATALYST REGENERATION ARCO Chemical Technology, L.P. (US) 1999-10-13 EP disclosed
US-5916835-A RESTORED BY WASHING WITH WATER, ALCOHOL, ETHER, NITRILE, ESTER, AROMATIC HYDROCARBON, KETONE ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-06-29 US disclosed
US-5798313-A HEATING TO 700 DEGREES C. IN OXYGEN STREAM; TITANIA ON SILICA EPOXIDATION CATALYST ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-08-25 US disclosed
WO-1998028072-A1 HETEROGENEOUS CATALYST REGENERATION ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1998-07-02 WO disclosed
US-4367342-A SILICON OXIDE, TITANIUM OXIDE CATALYST SHELL OIL COMPANY (US) 1983-01-04 US disclosed
US-4021454-A ALLYL CHLORIDE, HYDROCARBON HYDROPEROXIDE IN SILICON, TANTALUM OXIDE-HYDROXIDE SHELL OIL COMPANY (US) 1977-05-03 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-10259759-B2 Cyclohexylbenzene composition CYP1B1, CYP4B1, MCCC2 ALDH1A1 2579/4885ALOX15 1208/4885KCNN4 3309/4885
US-20170057895-A1 Phenol Composition CYP4B1, CYP26B1, CYP1B1 ALDH1A1 2046/4885ALOX15 786/4885KCNN4 3780/4885

“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.