SCHEMBL6806765

SCHEMBL6806765

CCC(=O)N(Cc1ccccc1)C1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.56
TYR P14679 1/20 0.52
TMEM97 Q5BJF2 1/20 0.50
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 1/20 0.47
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42

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
SCHEMBL6804847 1.00 OPRM1 (0.56) OPRM1TYRTMEM97SLC6A2SLC6A4
SCHEMBL7245773 0.89 TYR (0.54) OPRM1TYRUBE2MDCUN1D1
SCHEMBL7245757 0.89 TYR (0.54) OPRM1TYRUBE2MDCUN1D1
SCHEMBL6810113 0.86 TYR (0.47) TYRUBE2MDCUN1D1
SCHEMBL6810116 0.86 TYR (0.47) TYRUBE2MDCUN1D1
SCHEMBL5619802 0.74 TYR (0.47) OPRM1TYR
SCHEMBL5619797 0.74 TYR (0.47) OPRM1TYR
SCHEMBL4799335 0.71 AGER (0.44) OPRM1UBE2MDCUN1D1
SCHEMBL4799331 0.71 AGER (0.44) OPRM1UBE2MDCUN1D1
SCHEMBL6799615 0.71 TYR (0.46) TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US claimed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US claimed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US claimed
US-6797731-B2 USE AS SKIN LIGHTENING AGENTS PFIZER INC. 2004-09-28 US disclosed
US-20030190298-A1 Resorcinol derivatives BRADLEY STUART E (GB) 2003-10-09 US disclosed
US-6541473-B2 Use as skin lightening agents; 4-(1,4-Dioxaspiro(4.5)dec-8-yl)-1,3-benzenediol for example WARNER LAMBERT COMPANY 2003-04-01 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 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 (2 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-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 OPRM1 4241/4885TYR 8/4885TMEM97 2705/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 OPRM1 4241/4885TYR 8/4885TMEM97 2705/4885

“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.