SCHEMBL6804810

SCHEMBL6804810

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDK1 Q15118 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TYR P14679 1/20 0.47
PKM P14618 1/20 0.47
SMYD3 Q9H7B4 2/20 0.47
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
GRM5 P41594 1/20 0.46
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
DRD3 P35462 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL6804807 1.00 MEN1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6803601 0.83 KMT2A (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6803602 0.83 KMT2A (0.53) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL6799332 0.82 RAB9A (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6799335 0.82 RAB9A (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6804254 0.82 RAB9A (0.56) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6433955 0.80 TYR (0.45) TYRSMYD3DRD2HTR2ADRD3
SCHEMBL2230140 0.79 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL124395 0.79 NPC1 (0.79) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3658943 0.78 NPC1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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 MEN1 2440/4885KMT2A 2259/4885NPC1 2629/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885NPC1 2629/4885

“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.