SCHEMBL891327

SCHEMBL891327

CCCC1(c2ccccc2)CCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRL1 P41146 3/20 0.36
HTR1A P08908 2/20 0.36
ICMT O60725 1/20 0.35
DPP4 P27487 1/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TSHR P16473 1/20 0.34
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL27885042 0.80 KDM1A (0.38) OPRM1OPRL1HTR1ASLC6A2SLC6A3
SCHEMBL10812665 0.80 KDM1A (0.38) OPRM1OPRL1HTR1ASLC6A2SLC6A3
SCHEMBL9000261 0.79 DPP4 (0.36) HTR1AICMTDPP4TSHR
SCHEMBL14720863 0.78 SLC6A3 (0.51) OPRM1OPRL1SLC6A4SLC6A2SLC6A3
SCHEMBL434816 0.76 HSD11B1 (0.38) OPRM1OPRL1DPP4
SCHEMBL31343992 0.76 OPRM1 (0.34) OPRM1OPRL1DPP4SLC6A4SLC6A2
SCHEMBL7147295 0.76 HTR2A (0.39) HTR1ASLC6A4SLC6A2SLC6A3MMP2
SCHEMBL14778102 0.75 TSHR (0.40) OPRM1OPRL1TSHR
SCHEMBL14779453 0.75 TSHR (0.40) OPRM1OPRL1TSHR
SCHEMBL22530353 0.75 DPP4 (0.33) HTR1AICMTDPP4SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103140209-B Oral care composition with improved local flavor 宝洁公司 2017-10-13 CN claimed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP claimed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO claimed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 US claimed
EP-3360175-B1 FORMULATIONS COMPRISING AT LEAST TWO ORGANIC SEMICONDUCTING COMPOUNDS AND AT LEAST TWO SOLVENTS MERCK PATENT GMBH (DE) 2023-05-17 EP disclosed
US-10686132-B2 Formulations comprising organic at least two semiconducting compounds and at least two solvents MERCK PATENT GMBH (DE) 2020-06-16 US disclosed
EP-2621462-B1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR PROCTER & GAMBLE (US) 2020-02-12 EP disclosed
US-20190115536-A1 FORMULATIONS COMPRISING ORGANIC AT LEAST TWO SEMICONDUCTING COMPOUNDS AND AT LEAST TWO SOLVENTS MERCK PATENT GMBH (DE) 2019-04-18 US disclosed
US-9937115-B2 Oral care compositions with improved flavor THE PROCTER & GAMBLE COMPANY (US) 2018-04-10 US disclosed
CN-103140209-B Oral care composition with improved local flavor 宝洁公司 2017-10-13 CN disclosed
EP-2621462-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR The Procter and Gamble Company (US) 2013-08-07 EP disclosed
WO-2012044728-A1 ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR THE PROCTER & GAMBLE COMPANY (US) 2012-04-05 WO disclosed
US-20120082628-A1 Oral Care Compositions With Improved Flavor THE PROCTER & GAMBLE COMPANY 2012-04-05 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 (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-20120082628-A1 Oral Care Compositions With Improved Flavor TRPA1, TAS2R40, TAS2R30 OPRM1 202/4885OPRL1 418/4885HTR1A 588/4885

“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.