SCHEMBL5356460

SCHEMBL5356460

CC(C)(C)[Si](C)(C)Oc1ccc([C@H]2CC[C@H](NCc3ccccc3)CC2)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
GRIN2B Q13224 1/20 0.39
ACHE P22303 4/20 0.38
BACE1 P56817 4/20 0.38
BCHE P06276 3/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
DRD2 P14416 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 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
SCHEMBL5356463 1.00 MEN1 (0.40) MEN1KMT2ACYP2C9HRH3ALDH1A1
SCHEMBL5362365 1.00 MEN1 (0.40) MEN1KMT2ACYP2C9HRH3ALDH1A1
SCHEMBL7213965 0.80 CA12 (0.36) CYP2C9RAB9AOPRM1
SCHEMBL7063724 0.79 NPC1 (0.47) MEN1KMT2AALDH1A1RAB9ADRD2
SCHEMBL5363019 0.79 HTR1A (0.42) ALDH1A1DRD2
SCHEMBL7063726 0.79 NPC1 (0.47) MEN1KMT2AALDH1A1RAB9ADRD2
SCHEMBL5356429 0.79 HTR1A (0.42) ALDH1A1DRD2
SCHEMBL5356423 0.79 HTR1A (0.42) ALDH1A1DRD2
SCHEMBL5360050 0.77 MEN1 (0.33) MEN1KMT2A
SCHEMBL6804163 0.77 CA12 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7282592-B2 Resorcinol derivatives WARNER-LAMBERT COMPANY (US) 2007-10-16 US disclosed
US-20070122367-A1 RESORCINOL DERIVATIVES PFIZER INC. (US) 2007-05-31 US disclosed
US-7173052-B2 Resorcinol derivatives PFIZER INC. (US) 2007-02-06 US disclosed
US-20050282899-A1 Resorcinol for lightening skin removing color BRADLEY STUART E 2005-12-22 US disclosed
US-6933319-B2 Resorcinol derivatives PFIZER INC. (US) 2005-08-23 US disclosed
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US disclosed
US-6828460-B2 Containing at least one ester, oxime, sulfonamide, hydroxyamino or alkyoxyamino functionality; skin lightening agents; tyrosinase inhibitors PFIZER INC. 2004-12-07 US disclosed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP disclosed
US-20040209949-A1 Resorcinol derivatives BROWNING ANDREW FRANCIS (SE) 2004-10-21 US disclosed
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-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US disclosed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 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-20020161041-A1 Resorcinol derivatives PFIZER INC. 2002-10-31 US disclosed
US-20020137961-A1 Resorcinol derivatives PFIZER INC. 2002-09-26 US disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 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 (8 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-20070122367-A1 RESORCINOL DERIVATIVES LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885CYP2C9 820/4885
US-20040209949-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 MEN1 2493/4885KMT2A 2172/4885CYP2C9 644/4885
US-20030190298-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885CYP2C9 820/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885CYP2C9 820/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 MEN1 3029/4885KMT2A 771/4885CYP2C9 509/4885
US-20020161041-A1 Resorcinol derivatives NQO1, LRAT, ALDH1A2 MEN1 2493/4885KMT2A 2172/4885CYP2C9 644/4885
US-20020137961-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885CYP2C9 820/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MEN1 2440/4885KMT2A 2259/4885CYP2C9 820/4885

“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.