SCHEMBL10784398

SCHEMBL10784398

C=CC(c1ccccc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRM3 P20309 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
EPHX1 P07099 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL461672 0.94 IDO1 (0.42) IDO1GAAL3MBTL1CHRM3CHRM2
SCHEMBL1702617 0.81 SLC6A2 (0.42)
SCHEMBL193457 0.81 IDO1 (0.49) IDO1GAAL3MBTL1CHRM3MEN1
SCHEMBL2880193 0.80 SLC6A2 (0.39)
SCHEMBL1515769 0.78 IDO1 (0.46) IDO1GAAL3MBTL1CHRM3MEN1
SCHEMBL20336591 0.78 GAA (0.47) IDO1GAAL3MBTL1CHRM3CHRM2
SCHEMBL10626922 0.78 MAOA (0.42) MEN1KMT2AEPHX1
SCHEMBL11014789 0.78 IDO1 (0.35) IDO1GAAL3MBTL1
SCHEMBL18083245 0.77 SLC6A4 (0.40) IDO1GAAL3MBTL1LMNAKDM4E
SCHEMBL11373169 0.77 GABRA1 (0.38) IDO1L3MBTL1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017433-B2 Transalkylated cyclohexylbenzyl and biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US claimed
US-20180050971-A1 Transalkylated Cyclohexylbenzyl and Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2018-02-22 US claimed
EP-3277649-A1 TRANSALKYLATED CYCLOHEXYLBENZYL AND BIPHENYL COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2018-02-07 EP claimed
WO-2016160084-A1 TRANSALKYLATED CYCLOHEXYLBENZYL AND BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-06 WO claimed
JP-57146725-A None JP disclosed
EP-3277649-B1 TRANSALKYLATED CYCLOHEXYLBENZYL AND BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-08-21 EP disclosed
CN-108774121-A A kind of method that visible light catalytic prepares alpha-aromatic-β-trifluoromethyl ketone compound 闽南师范大学 2018-11-09 CN disclosed
US-10017433-B2 Transalkylated cyclohexylbenzyl and biphenyl compounds EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US disclosed
US-20180050971-A1 Transalkylated Cyclohexylbenzyl and Biphenyl Compounds EXXONMOBIL CHEMICAL PATENTS INC. 2018-02-22 US disclosed
EP-3277649-A1 TRANSALKYLATED CYCLOHEXYLBENZYL AND BIPHENYL COMPOUNDS ExxonMobil Chemical Patents Inc. (US) 2018-02-07 EP disclosed
WO-2016160084-A1 TRANSALKYLATED CYCLOHEXYLBENZYL AND BIPHENYL COMPOUNDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-06 WO 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
EP-0107090-B1 BIREFRINGENCE COMPENSATING ARRANGEMENT OF PLASTIC SHEETS BAYER AG (DE) 1987-07-22 EP disclosed
US-4544583-A Birefringence-free plastics BAYER AKTIENGESELLSCHAFT (DE) 1985-10-01 US disclosed
EP-0107090-A1 Birefringence compensating arrangement of plastic sheets BAYER AG (DE) 1984-05-02 EP disclosed
JP-S57146725-A PREPARATION OF CYCLOHEXENE NIPPON PETROCHEM CO LTD 1982-09-10 JP disclosed
US-4117020-A REACTION WITH BENZENE OR TOLUENE, ALUMINOSILICATE MOLECULAR SIEVE CATALYST THE DOW CHEMICAL COMPANY (US) 1978-09-26 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 IDO1 1702/4885GAA 830/4885L3MBTL1 3917/4885
US-10017433-B2 Transalkylated cyclohexylbenzyl and biphenyl compounds DDT, CYP2B6, AHR IDO1 1115/4885GAA 1725/4885L3MBTL1 506/4885
US-20180050971-A1 Transalkylated Cyclohexylbenzyl and Biphenyl Compounds DDT, CYP2B6, AHR IDO1 1115/4885GAA 1725/4885L3MBTL1 506/4885

“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.