SCHEMBL4622892

SCHEMBL4622892

CCCCCCCCCCCCCCCCCC(CN)CCCCCCCCCCCCCCCC.COS(=O)(=O)O

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.40
LAP3 P28838 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
SMPD1 P17405 3/20 0.37
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
GPR84 Q9NQS5 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 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
SCHEMBL28557843 1.00 TP53 (0.47) TP53ALDH1A1TDP1LMNAZDHHC7
Sulfuric Acid SCHEMBL28358739 0.89 TP53 (0.59) TP53ALDH1A1TDP1LMNALAP3
Sulfuric Acid SCHEMBL28354893 0.89 TP53 (0.59) TP53ALDH1A1TDP1LMNALAP3
Sulfuric Acid SCHEMBL28358738 0.89 TP53 (0.59) TP53ALDH1A1TDP1LMNALAP3
Sulfuric Acid SCHEMBL28354891 0.89 TP53 (0.59) TP53ALDH1A1TDP1LMNALAP3
Sulfuric Acid SCHEMBL29166569 0.87 TP53 (0.57) TP53ALDH1A1TDP1LMNALAP3
Sulfuric Acid SCHEMBL29166798 0.87 TP53 (0.57) TP53ALDH1A1TDP1LMNALAP3
SCHEMBL4330784 0.86 ALDH1A1 (0.64) TP53ALDH1A1TDP1LMNACA1
SCHEMBL29202942 0.81 TP53 (0.55) TP53ALDH1A1ZDHHC7LAP3SMPD1
SCHEMBL3137380 0.81 TP53 (0.43) TP53LMNAZDHHC7CA2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970741-B1 O/W/O TYPE MULTIPHASE EMULSION SHISEIDO CO LTD (JP) 2008-05-14 EP disclosed
EP-1604632-B1 Cosmetic comprising a specific terpolymer SHISEIDO CO LTD (JP) 2007-06-06 EP disclosed
EP-1604632-A1 Cosmetic comprising a specific terpolymer Shiseido Co., Ltd. (JP) 2005-12-14 EP disclosed
US-20050271611-A1 Cosmetic SHISEIDO CO., LTD. (JP) 2005-12-08 US disclosed
US-6585986-B2 Water swelling colloidal hydrated aluminum silicate clay with quaternary ammonium surfactant, and a fatty acid or higher alcohol; allows UV light protection powder to be blended in to skin without whiteness, emulsifier for sunscreen SHISEIDO COMPANY, LTD. (JP) 2003-07-01 US disclosed
US-20010044475-A1 Gelling agent and gel compositions SHISEIDO COMPANY, LTD. (JP) 2001-11-22 US disclosed
US-6150425-A COMPRISING AN OUTER PHASE OIL AND OIL IN WATER EMULSION IN THE INNER PHASE WHICH CONTAINING WATER, AN OIL BASED INGREDIENT, A SURFACTANT AND AN AMPHIPHILIC SUBSTANCE; PREPARED BY A HIGH PRESSURE OR ULTRASONIC EMULSIFICATION SHISEIDO COMPANY, LTD. (JP) 2000-11-21 US disclosed
EP-0970741-A1 O/W/O TYPE MULTIPHASE EMULSION SHISEIDO COMPANY LIMITED (JP) 2000-01-12 EP disclosed
EP-0922740-A1 GELLING AGENT AND GEL COMPOSITIONS SHISEIDO COMPANY LIMITED (JP) 1999-06-16 EP 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 (1 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-20050271611-A1 Cosmetic SQLE, CUTA, MITF TP53 2715/4885ALDH1A1 940/4885TDP1 2491/4885

“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.