SCHEMBL6805675

SCHEMBL6805675

O=C(c1ccc(C(F)(F)F)cc1)N(O)[C@H]1CC[C@@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
HSD11B1 P28845 8/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.38
TYR P14679 1/20 0.36
SLC9A1 P19634 1/20 0.36
MGLL Q99685 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL6805673 1.00 PDK2 (0.41) PDK2PDK4HSD11B1MEN1NPC1
SCHEMBL6799618 0.85 TYR (0.46) HSD11B1MEN1KMT2AMRGPRX4TYR
SCHEMBL6799615 0.85 TYR (0.46) HSD11B1MEN1KMT2AMRGPRX4TYR
SCHEMBL6802537 0.85 TYR (0.46) HSD11B1MEN1KMT2AMRGPRX4TYR
SCHEMBL6809478 0.82 PDK1 (0.43) PDK2PDK4MEN1NPC1MAPT
SCHEMBL6809470 0.82 PDK1 (0.43) PDK2PDK4MEN1NPC1MAPT
SCHEMBL6456958 0.79 TYR (0.48) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL6456951 0.79 TYR (0.48) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL6810668 0.76 CLK1 (0.42) PDK2PDK4TYRSLC9A1
SCHEMBL6810669 0.76 CLK1 (0.42) PDK2PDK4TYRSLC9A1

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 PDK2 2162/4885PDK4 1386/4885HSD11B1 347/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 PDK2 2162/4885PDK4 1386/4885HSD11B1 347/4885

“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.