SCHEMBL5359477

SCHEMBL5359477

O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 2/20 0.38
PKLR P30613 2/20 0.38
TYR P14679 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
WDR5 P61964 2/20 0.35
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
ACHE P22303 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR6 P50406 1/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL5359472 1.00 KMT2A (0.40) KMT2ATDP1PKMPKLRTYR
SCHEMBL5356347 0.84 KMT2A (0.48) KMT2ATDP1ALDH1A1LMNAHTR1A
SCHEMBL5356341 0.84 KMT2A (0.48) KMT2ATDP1ALDH1A1LMNAHTR1A
SCHEMBL6599031 0.84 KMT2A (0.48) KMT2ATDP1ALDH1A1LMNAHTR1A
SCHEMBL6598747 0.81 HTR1A (0.44) KMT2ATDP1LMNAHTR1ADRD2
SCHEMBL5366944 0.81 DPP4 (0.49) KMT2ATDP1
SCHEMBL5366940 0.81 DPP4 (0.49) KMT2ATDP1
SCHEMBL5374721 0.81 ALDH1A1 (0.48) KMT2ATYRALDH1A1LMNAHTR1A
SCHEMBL5374241 0.81 ALDH1A1 (0.48) KMT2ATYRALDH1A1LMNAHTR1A
SCHEMBL5374245 0.81 ALDH1A1 (0.48) KMT2ATYRALDH1A1LMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US claimed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP claimed
US-20030180236-A1 Resorcinol derivatives PFIZER PRODUCTS, INC. 2003-09-25 US claimed
US-6590105-B2 For skin lightening or depigmentation; works by inhibiting tyrosinase in humans; kits WARNER-LAMBERT COMPANY 2003-07-08 US claimed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US claimed
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-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 US disclosed
EP-1317425-B1 RESORCINOL DERIVATIVES PFIZER PROD INC (US) 2004-11-03 EP 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-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 (4 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 KMT2A 2259/4885TDP1 3111/4885PKM 4169/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885TDP1 3111/4885PKM 4169/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 KMT2A 771/4885TDP1 3548/4885PKM 3678/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 KMT2A 2259/4885TDP1 3111/4885PKM 4169/4885

“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.