SCHEMBL6804254

SCHEMBL6804254

O=C(Nc1ccccc1)N[C@H]1CC[C@H](c2ccc(O)cc2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
EPHX2 P34913 4/20 0.56
EPHX1 P07099 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PDK1 Q15118 2/20 0.49
ALDH1A1 P00352 1/20 0.48
FAAH O00519 1/20 0.47
KMT2A Q03164 4/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
NPY1R P25929 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 1/20 0.46
TYR P14679 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL6799332 1.00 RAB9A (0.56) RAB9AEPHX2EPHX1SMN1; SMN2PDK1
SCHEMBL6799335 1.00 RAB9A (0.56) RAB9AEPHX2EPHX1SMN1; SMN2PDK1
SCHEMBL6804807 0.82 MEN1 (0.52) RAB9ASMN1; SMN2PDK1ALDH1A1KMT2A
SCHEMBL6804810 0.82 MEN1 (0.52) RAB9ASMN1; SMN2PDK1ALDH1A1KMT2A
SCHEMBL15263046 0.80 EPHX1 (0.83) RAB9AEPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL10825858 0.80 EPHX1 (0.83) RAB9AEPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL31054297 0.79 RAB9A (0.71) RAB9AEPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL11316579 0.79 RAB9A (0.60) RAB9AEPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL31280763 0.79 RAB9A (0.60) RAB9AEPHX2EPHX1SMN1; SMN2ALDH1A1
SCHEMBL6806375 0.79 TYR (0.58) RAB9ASMN1; SMN2FAAHKMT2ANPC1

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 RAB9A 2365/4885EPHX2 2360/4885EPHX1 1031/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 RAB9A 2365/4885EPHX2 2360/4885EPHX1 1031/4885

“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.