SCHEMBL2725481

SCHEMBL2725481

CC(C)c1cccc(C(C)C)c1C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
LMNA P02545 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A2 P23975 2/20 0.41
FAAH O00519 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GABRB1 P18505 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2C P28335 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
HTR2B P41595 1/20 0.41
GABRA2 P47869 1/20 0.41

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
SCHEMBL2725289 1.00 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL11863751 0.86 HTR1A (0.40) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL28447225 0.83 ROCK2 (0.35) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL16115092 0.81 CHRNB2 (0.39) GABRA1GABRG2GABRB3CA1CA2
SCHEMBL16951488 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL6684632 0.80 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL4549141 0.78 DRD2 (0.45) SLC6A2HTR2CSLC6A4
SCHEMBL16956096 0.78 GABRA1 (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL5600840 0.78 PTGS2 (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL16956094 0.76 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2

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 16 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
CN-105636692-A Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone. EXXONMOBIL CHEMICAL PATENTS INC 2016-06-01 CN claimed
US-9144792-B2 Hydroalkylating process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-09-29 US claimed
US-20150112098-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 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-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
CN-105636692-A Hydroalkylating process comprising an activation of the hydroalkylation catalyst and method of making phenol and cyclohexanone. EXXONMOBIL CHEMICAL PATENTS INC 2016-06-01 CN 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
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-20150112098-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-23 US disclosed
US-20150094494-A1 Hydroalkylating Process EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-02 US disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 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 (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 GABRA1 3140/4885GABRG2 1729/4885GABRB3 1863/4885
US-20160229767-A1 Hydroalkylating Process Comprising an Activation of the Hydroalkylation Catalyst and Method of Making Phenol and Cyclohexanone HACL2, HPD, KHK GABRA1 4509/4885GABRG2 4432/4885GABRB3 4508/4885
US-20150094494-A1 Hydroalkylating Process HPD, BCKDK, ALKBH3 GABRA1 2128/4885GABRG2 1612/4885GABRB3 1594/4885

“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.