SCHEMBL5356330

SCHEMBL5356330

O=S(=O)(NC1CCC(c2ccc(O)cc2O)CC1)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CRHR1 P34998 1/20 0.37
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
STS P08842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 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
SCHEMBL5356324 1.00 MCL1 (0.41) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6595125 0.82 HDAC8 (0.50) ALDH1A1TSHRLMNASTS
SCHEMBL5364619 0.82 HDAC8 (0.50) ALDH1A1TSHRLMNASTS
SCHEMBL5364634 0.82 HDAC8 (0.50) ALDH1A1TSHRLMNASTS
SCHEMBL5374708 0.81 HDAC8 (0.40) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL5360426 0.81 HDAC8 (0.40) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL5360432 0.81 HDAC8 (0.40) ALDH1A1KMT2ALMNAMAPTTDP1
SCHEMBL4734321 0.76 SFRP1 (0.51) MCL1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5366825 0.75 STS (0.45) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL5371190 0.75 KMT2A (0.42) ALDH1A1KMT2ALMNAMAPTKDM4E

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 MCL1 4776/4885ALDH1A1 90/4885L3MBTL1 3347/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MCL1 4776/4885ALDH1A1 90/4885L3MBTL1 3347/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 MCL1 4621/4885ALDH1A1 164/4885L3MBTL1 2322/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 MCL1 4776/4885ALDH1A1 90/4885L3MBTL1 3347/4885

“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.