SCHEMBL3628705

SCHEMBL3628705

COc1ccc(CC(=O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
SMN1; SMN2 Q16637 3/20 0.61
F2RL1 P55085 1/20 0.60
CTBP2 P56545 1/20 0.59
LDHA P00338 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL4032340 0.92 NPC1 (0.66) HTTSMN1; SMN2CTBP2LDHAALDH1A1
SCHEMBL3175977 0.90 HTT (0.61) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL7153605 0.90 HTT (0.61) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL6290388 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL11225811 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL8867104 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL9548104 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL3006056 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL2853333 0.88 HTT (0.59) HTTSMN1; SMN2F2RL1CTBP2LDHA
SCHEMBL17451337 0.87 MEN1 (0.61) HTTSMN1; SMN2F2RL1CTBP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113197323-B Fragrance-carrying supramolecular gel based on gallic acid nicotine salt gelling agent 云南中烟工业有限责任公司 2022-11-11 CN claimed
CN-113197325-B Supramolecular gel based on three-dimensional network structure 云南中烟工业有限责任公司 2022-11-04 CN claimed
CN-113197327-B Gel based on long-chain alkyl dibasic fatty acid nicotine salt gelling agent 云南中烟工业有限责任公司 2022-11-04 CN claimed
CN-113197326-B Gel with high-load smoke agent and spice 云南中烟工业有限责任公司 2022-11-04 CN claimed
CN-113367375-B Fragrance-carrying supermolecule gel based on racemic mandelate nicotine salt gelling agent with equal pH ratio 云南中烟工业有限责任公司 2022-11-04 CN claimed
CN-113208148-B Supramolecular gel for synergistically releasing nicotine and aroma components 云南中烟工业有限责任公司 2022-11-04 CN claimed
CN-112979441-B Method for chlorinating saturated C-H by using brine as chlorinating agent 河北科技大学 2022-10-25 CN claimed
CN-113367375-A Fragrance-carrying supermolecule gel based on racemic mandelate nicotine salt gelling agent with equal pH ratio 云南中烟工业有限责任公司 2021-09-10 CN claimed
CN-113208148-A Supramolecular gel for synergistically releasing nicotine and aroma components 云南中烟工业有限责任公司 2021-08-06 CN claimed
CN-113197325-A Supramolecular gel based on three-dimensional network structure 云南中烟工业有限责任公司 2021-08-03 CN claimed
CN-113197327-A Gel based on long-chain alkyl dibasic fatty acid nicotine salt gelling agent 云南中烟工业有限责任公司 2021-08-03 CN claimed
CN-113197323-A Fragrance-carrying supramolecular gel based on gallic acid nicotine salt gelling agent 云南中烟工业有限责任公司 2021-08-03 CN claimed
CN-113197326-A Gel with high-load smoke agent and spice 云南中烟工业有限责任公司 2021-08-03 CN claimed
CN-112979441-A Method for chlorinating saturated C-H by using brine as chlorinating agent 河北科技大学 2021-06-18 CN claimed
CN-109456268-A The preparation of 3, the 4- dihydro-isoquinoline Alkaloid of C1 substitutions and its medical usage 中国药科大学 2019-03-12 CN claimed
CN-116178336-B Method for synthesizing N-aryl ketimine by acid catalytic ketal method and application 西安近代化学研究所 2025-04-25 CN disclosed
CN-119343170-A Method and apparatus for treating methane-containing gas 卡纳德维亚爱诺瓦股份公司 2025-01-21 CN disclosed
US-6303733-B1 FROM BISPHENOL COMPOUNDS AND DIFLUORO DIARYLACETYLENES AND/OR ETHYNYLATED BENZOPHENONES; DIELECTRICS EMPLOYED WITH A VARIETY OF MICROELECTRONIC DEVICES, FOR EXAMPLE, INTEGRATED CIRCUITS AND MULTICHIP MODULES. ALLIEDSIGNAL INC. 2001-10-16 US disclosed
EP-0828614-B1 ARTICLE INTENDED FOR MARKING AND A METHOD OF MARKING IT BICC PLC (GB) 2000-01-05 EP disclosed
CN-1164188-A Naphthyl compounds, intermediates, processes, compositions, and methods LILLY CO ELI (US) 1997-11-05 CN disclosed