SCHEMBL9997758

SCHEMBL9997758

OOc1ccccc1C1CCCCC1.c1ccc(C2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.55
HTR1A P08908 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 1/20 0.44
SLC18A3 Q16572 5/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KMO O15229 1/20 0.41
CYP2D6 P10635 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL5159996 0.91 PTGDR2 (0.58) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL42935 0.91 PTGDR2 (0.58) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2352902 0.91 PTGDR2 (0.58) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2352942 0.89 PTGDR2 (0.56) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
Isopropylbenzene SCHEMBL11315929 0.81 PTGDR2 (0.50) PTGDR2HTR1ASLC6A2SLC6A4SLC6A3
Hydrogen Peroxide SCHEMBL9997756 0.80 SLC18A3 (0.61) SLC18A3KMOCYP2D6CYP1A2CYP2C9
Hydrogen Peroxide SCHEMBL42934 0.80 SLC18A3 (0.61) SLC18A3KMOCYP2D6CYP1A2CYP2C9
Hydrogen Peroxide SCHEMBL11586135 0.80 SLC18A3 (0.61) SLC18A3KMOCYP2D6CYP1A2CYP2C9
Hydrogen Peroxide SCHEMBL5901852 0.80 SLC18A3 (0.61) SLC18A3KMOCYP2D6CYP1A2CYP2C9
Hydrogen Peroxide SCHEMBL2352896 0.80 SLC18A3 (0.61) SLC18A3KMOCYP2D6CYP1A2CYP2C9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301387-A1 Process For Producing Phenol EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-08 US claimed
EP-3327003-B1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC (US) 2020-09-16 EP disclosed
EP-3013795-B1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-07-24 EP disclosed
EP-3327003-A1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE ExxonMobil Chemical Patents Inc. (US) 2018-05-30 EP disclosed
US-9464047-B2 Process for concentrating a mixture containing organic hydroperoxide EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-11 US disclosed
US-20160122298-A1 Process for Concentrating a Mixture Containing Organic Hydroperoxide EXXONMOBIL CHEMICAL PATENTS INC. 2016-05-05 US disclosed
EP-3013795-A1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE ExxonMobil Chemical Patents Inc. (US) 2016-05-04 EP disclosed
WO-2014209578-A1 PROCESS FOR CONCENTRATING A MIXTURE CONTAINING ORGANIC HYDROPEROXIDE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-12-31 WO disclosed
EP-0008869-B1 PROCESS FOR THE PRODUCTION OF A PHENOL AND A CARBONYL COMPOUND BY THE CATALYSED DECOMPOSITION OF AN AROMATIC HYDROPEROXIDE BP Chemicals Limited (GB) 1983-03-02 EP disclosed
US-4246203-A Process for the production of a phenol and a carbonyl compound by the catalyzed decomposition of an aromatic hydroperoxide BP CHEMICALS LIMITED (GB) 1981-01-20 US disclosed
EP-0008869-A1 Process for the production of a phenol and a carbonyl compound by the catalysed decomposition of an aromatic hydroperoxide BP Chemicals Limited (GB) 1980-03-19 EP 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-20160122298-A1 Process for Concentrating a Mixture Containing Organic Hydroperoxide LPO, AOX1, PPOX PTGDR2 2032/4885HTR1A 1771/4885SLC6A2 4094/4885
US-20110301387-A1 Process For Producing Phenol NOX4, CYP2E1, SCO2 PTGDR2 847/4885HTR1A 3485/4885SLC6A2 4029/4885

“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.