SCHEMBL16594018

SCHEMBL16594018

CCC(C)(C1CCCCC1)C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM4 P08173 4/20 0.39
CHRM3 P20309 4/20 0.39
PKM P14618 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.37
OPRK1 P41145 1/20 0.36
EPHX1 P07099 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 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
SCHEMBL10890027 0.75 GAA (0.43) GAAL3MBTL1ALDH1A1EPHX1LMNA
SCHEMBL2791585 0.74 ALDH1A1 (0.40) GAAL3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL3001706 0.72 RIPK1 (0.43) GAAL3MBTL1OPRK1EPHX1LMNA
SCHEMBL16191123 0.69 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3CYP2D6
SCHEMBL14197533 0.69 CHRM2 (0.43) CHRM2CHRM1CHRM4CHRM3PKM
SCHEMBL22766210 0.69 RIPK1 (0.45) CHRM2CHRM1CHRM3KCNH2OPRK1
SCHEMBL68538 0.69 RIPK1 (0.45) CHRM2CHRM1CHRM3KCNH2OPRK1
SCHEMBL2991556 0.68 SHBG (0.40) EPHX1
SCHEMBL21438353 0.67 TAAR1 (0.43) CHRM2CHRM1CHRM3KCNH2OPRK1
SCHEMBL28563974 0.67 TAAR1 (0.43) CHRM2CHRM1CHRM3KCNH2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718744-B2 Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-08-01 US claimed
US-20160229767-A1 Hydroalkylating Process Comprising an Activation of the Hydroalkylation Catalyst and Method of Making Phenol and Cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-11 US claimed
US-9144792-B2 Hydroalkylating process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-09-29 US claimed
WO-2015057374-A1 HYDROALKYLATING PROCESS COMPRISING AN ACTIVATION OF THE HYDROALKYLATION CATALYST AND ΜΕΤΗOD OF MAKING PHENOL AND CYCLOHEXANONE. EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-04-23 WO claimed
US-20150112098-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 US claimed
US-9718744-B2 Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-08-01 US disclosed
US-20160229767-A1 Hydroalkylating Process Comprising an Activation of the Hydroalkylation Catalyst and Method of Making Phenol and Cyclohexanone EXXONMOBIL CHEMICAL PATENTS INC. 2016-08-11 US disclosed
US-9169170-B2 Hydroalkylating process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-10-27 US disclosed
US-9144792-B2 Hydroalkylating process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-09-29 US disclosed
US-20150112098-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 US disclosed
WO-2015057374-A1 HYDROALKYLATING PROCESS COMPRISING AN ACTIVATION OF THE HYDROALKYLATION CATALYST AND ΜΕΤΗOD OF MAKING PHENOL AND CYCLOHEXANONE. EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-04-23 WO disclosed
US-20150094494-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-02 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 (3 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-20150112098-A1 Hydroalkylating Process AHR, HACL2, HPD GAA 830/4885L3MBTL1 3917/4885CHRM2 3094/4885
US-20160229767-A1 Hydroalkylating Process Comprising an Activation of the Hydroalkylation Catalyst and Method of Making Phenol and Cyclohexanone HACL2, HPD, KHK GAA 1428/4885L3MBTL1 4627/4885CHRM2 2246/4885
US-20150094494-A1 Hydroalkylating Process HPD, BCKDK, ALKBH3 GAA 991/4885L3MBTL1 1277/4885CHRM2 2258/4885

“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.