SCHEMBL4406475

SCHEMBL4406475

CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CC

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.52
OPRM1 P35372 1/20 0.50
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46
LMNA P02545 2/20 0.46
DNM1 Q05193 2/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GPR84 Q9NQS5 3/20 0.41
FDPS P14324 3/20 0.41
FFAR1 O14842 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
SCHEMBL10583127 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL4406595 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL5301671 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL671909 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL5294996 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL10579761 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL11060098 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL672720 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL450926 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1
SCHEMBL555207 1.00 ACE2 (0.52) ACE2OPRM1TSHRTHRBSPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114903198-A Preparation method of blocking type tobacco humectant and application of blocking type tobacco humectant in cigarettes 河南中烟工业有限责任公司 2022-08-16 CN claimed
CN-114903197-A Preparation method, formula composition and application of blocking type tobacco humectant 河南中烟工业有限责任公司 2022-08-16 CN claimed
EP-3202264-B1 SUSTAINED RELEASE PHEROMONE PREPARATION SHINETSU CHEMICAL CO (JP) 2019-04-10 EP claimed
EP-3202264-A1 SUSTAINED RELEASE PHEROMONE PREPARATION Shin-Etsu Chemical Co., Ltd. (JP) 2017-08-09 EP claimed
US-20170215413-A1 SUSTAINED RELEASE PHEROMONE PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-03 US claimed
WO-2025096734-A1 MICROCAPSULES FMC CORPORATION (US) 2025-05-08 WO disclosed
EP-4268617-A1 TOBACCO MATERIAL PRODUCTION METHOD Japan Tobacco Inc. (JP) 2023-11-01 EP disclosed
EP-4268618-A1 METHOD FOR PRODUCING TOBACCO MATERIAL Japan Tobacco Inc. (JP) 2023-11-01 EP disclosed
CN-114903198-A Preparation method of blocking type tobacco humectant and application of blocking type tobacco humectant in cigarettes 河南中烟工业有限责任公司 2022-08-16 CN disclosed
CN-114903197-A Preparation method, formula composition and application of blocking type tobacco humectant 河南中烟工业有限责任公司 2022-08-16 CN disclosed
CN-114903197-A Preparation method, formula composition and application of blocking type tobacco humectant 河南中烟工业有限责任公司 2022-08-16 CN disclosed
CN-114903198-A Preparation method of blocking type tobacco humectant and application of blocking type tobacco humectant in cigarettes 河南中烟工业有限责任公司 2022-08-16 CN disclosed
EP-3202264-B1 SUSTAINED RELEASE PHEROMONE PREPARATION SHINETSU CHEMICAL CO (JP) 2019-04-10 EP disclosed
EP-3202264-A1 SUSTAINED RELEASE PHEROMONE PREPARATION Shin-Etsu Chemical Co., Ltd. (JP) 2017-08-09 EP disclosed
US-20170215413-A1 SUSTAINED RELEASE PHEROMONE PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170029846-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-02-02 US disclosed
WO-2015164529-A1 COMPOSITIONS AND METHODS FOR CONTROLLING PESTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-29 WO disclosed
US-7635798-B2 Nucleic acid compositions conferring altered metabolic characteristics DOW AGROSCIENCES, LLC (US) 2009-12-22 US disclosed
US-20050091708-A1 Nucleic acid compositions conferring altered metabolic characteristics DOW AGROSCIENCES LLC 2005-04-28 US disclosed
WO-2003020936-A1 NUCLEIC ACID COMPOSITIONS CONFERRING ALTERED METABOLIC CHARACTERISTICS THE DOW CHEMICAL COMPANY (US) 2003-03-13 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 (1 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-20050091708-A1 Nucleic acid compositions conferring altered metabolic characteristics FADS1, FASN, FADS2 ACE2 1630/4885OPRM1 1713/4885TSHR 4676/4885

“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.