SCHEMBL5363070

SCHEMBL5363070

Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](c3ccc(O[Si](C)(C)C(C)(C)C)cc3O[Si](C)(C)C(C)(C)C)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
POLB P06746 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
KIT P10721 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL5359455 1.00 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4POLBDRD2
SCHEMBL5359450 1.00 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4POLBDRD2
SCHEMBL5360944 0.92 POLB (0.40) ALDH1A1POLBDRD2HTR2ADRD3
SCHEMBL5446985 0.92 POLB (0.42) POLBDRD2HTR2ADRD3L3MBTL1
SCHEMBL5360942 0.92 POLB (0.40) ALDH1A1POLBDRD2HTR2ADRD3
SCHEMBL5446988 0.92 POLB (0.42) POLBDRD2HTR2ADRD3L3MBTL1
SCHEMBL5362995 0.91 HTR1A (0.41) ALDH1A1POLBDRD2HTR2ADRD3
SCHEMBL5363835 0.91 HTR1A (0.43) POLBDRD2HTR2ADRD3
SCHEMBL5362991 0.91 HTR1A (0.41) ALDH1A1POLBDRD2HTR2ADRD3
SCHEMBL5363841 0.91 HTR1A (0.43) POLBDRD2HTR2ADRD3

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 10 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-6852747-B2 Resorcinol derivatives PFIZER INC. (US) 2005-02-08 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
EP-1317425-A2 RESORCINOL DERIVATIVES Pfizer Products Inc. (US) 2003-06-11 EP disclosed
US-20020114770-A1 Resorcinol derivatives PFIZER INC. 2002-08-22 US disclosed
WO-2002020474-A2 RESORCINOL DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-03-14 WO 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 ALDH1A1 90/4885TSHR 3896/4885CYP3A4 262/4885
US-20030180236-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885TSHR 3896/4885CYP3A4 262/4885
US-20050282899-A1 Resorcinol for lightening skin removing color RBP4, NQO1, ALDH1A2 ALDH1A1 164/4885TSHR 4350/4885CYP3A4 160/4885
US-20020114770-A1 Resorcinol derivatives LRAT, NQO1, ALDH1A2 ALDH1A1 90/4885TSHR 3896/4885CYP3A4 262/4885

“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.