SCHEMBL239469

SCHEMBL239469

c1cc(C2CCCCC2)c(C2CCCCC2)c(C2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.43
CEL P19835 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS2 P35354 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
CYP11B2 P19099 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMO O15229 1/20 0.37
TDO2 P48775 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC18A3 Q16572 1/20 0.35
HTR2C P28335 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL14353365 0.98 ABCB1 (0.42) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL777873 0.97 CEL (0.41) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL4647449 0.87 PTGS2 (0.39) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL5735917 0.85 PTGS2 (0.38) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL301162 0.85 HTR1A (0.38) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL301130 0.85 HTR1A (0.38) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL4958023 0.85 CHRNB2 (0.53) ABCB1CELPTGDR2KMO
SCHEMBL4962002 0.85 CHRNB2 (0.53) ABCB1CELPTGDR2KMO
SCHEMBL5737525 0.85 HTR1A (0.38) ABCB1CELPTGDR2PTGS2HTR1A
SCHEMBL4983981 0.85 ABCB1 (0.38) ABCB1CELPTGDR2PTGS2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115305066-B Polycyclic aromatic hydrocarbon heat conduction composition 中国石油化工股份有限公司 2024-08-30 CN claimed
CN-117487523-A Synthetic thermal conductive medium and synthetic method and system thereof 中国石油化工股份有限公司 2024-02-02 CN claimed
CN-117343697-A Thermosensitive composition and production method and system thereof 中国石油化工股份有限公司 2024-01-05 CN claimed
CN-115305066-A Polycyclic aromatic hydrocarbon heat-conducting composition 中国石油化工股份有限公司 2022-11-08 CN 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 claimed
EP-2435390-B1 TRANSALKYLATION OF POLYCYCLOHEXYLBENZENES EXXONMOBIL CHEM PATENTS INC (US) 2016-08-17 EP 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
EP-2675772-B1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE EXXONMOBIL CHEM PATENTS INC (US) 2015-09-16 EP claimed
CN-103391910-B Process for producing cyclohexylbenzene EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-08-19 CN claimed
US-8633343-B2 Transalkylation of polycyclohexylbenzenes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-01-21 US claimed
EP-2675772-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE ExxonMobil Chemical Patents Inc. (US) 2013-12-25 EP claimed
CN-103391910-A Process for producing cyclohexylbenzene EXXON MOBIL CHEM PATENTS INC 2013-11-13 CN claimed
US-20120310024-A1 Dealkylation Process EXXONMOBIL CHEMICAL PATENTS INC. 2012-12-06 US claimed
CN-101641409-B Crystalline polylactic acid resin composition and molded body made of the same UNITIKA LTD JP 2012-10-24 CN claimed
WO-2012112203-A1 PROCESS FOR PRODUCING CYCLOHEXYLBENZENE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-08-23 WO claimed
CN-102448915-A Transalkylation of polycyclohexylbenzenes EXXONMOBIL CHEM PATENTS INC 2012-05-09 CN claimed
US-20120046499-A1 Transalkylation of Polycyclohexylbenzenes EXXONMOBIL CHEMICAL PATENTS INC. 2012-02-23 US claimed
WO-2011115704-A1 DEALKYLATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-09-22 WO claimed
WO-2010138248-A2 TRANSALKYLATION OF POLYCYCLOHEXYLBENZENES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-12-02 WO claimed

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-20120046499-A1 Transalkylation of Polycyclohexylbenzenes FOSB, TMSB10, ACLY ABCB1 316/4885CEL 722/4885PTGDR2 4774/4885
US-20120310024-A1 Dealkylation Process PAH, DDC, HPD ABCB1 1151/4885CEL 429/4885PTGDR2 3347/4885
US-20160229767-A1 Hydroalkylating Process Comprising an Activation of the Hydroalkylation Catalyst and Method of Making Phenol and Cyclohexanone HACL2, HPD, KHK ABCB1 3943/4885CEL 173/4885PTGDR2 2380/4885

“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.