SCHEMBL6802537

SCHEMBL6802537

O=C(c1ccccc1)N(O)[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
HSD11B1 P28845 1/20 0.36
MGLL Q99685 1/20 0.35
PDK1 Q15118 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL6799618 1.00 TYR (0.46) TYRMEN1USP2GAAKMT2A
SCHEMBL6799615 1.00 TYR (0.46) TYRMEN1USP2GAAKMT2A
SCHEMBL6805675 0.85 PDK2 (0.41) TYRMEN1KMT2AHSD11B1MGLL
SCHEMBL6805673 0.85 PDK2 (0.41) TYRMEN1KMT2AHSD11B1MGLL
SCHEMBL6810669 0.85 CLK1 (0.42) TYRPDK1
SCHEMBL6810668 0.85 CLK1 (0.42) TYRPDK1
SCHEMBL6809478 0.84 PDK1 (0.43) TYRMEN1KMT2APDK1ESR1
SCHEMBL6809470 0.84 PDK1 (0.43) TYRMEN1KMT2APDK1ESR1
SCHEMBL6806812 0.81 TYR (0.47) TYRMEN1USP2GAAKMT2A
SCHEMBL6806811 0.81 TYR (0.47) TYRMEN1USP2GAAKMT2A

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 TYR 8/4885MEN1 2440/4885USP2 1505/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 TYR 8/4885MEN1 2440/4885USP2 1505/4885

“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.