SCHEMBL3619964

SCHEMBL3619964

CCC(O)N(c1ccc(C(=O)O)cc1)C(O)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.45
TP53 P04637 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
RAB9A P51151 1/20 0.44
CA9 Q16790 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
UGT1A7 Q9HAW7 1/20 0.44
SLC22A11 Q9NSA0 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1136297 0.80 CA1 (0.54) ALDH1A1HTTTP53SMN1; SMN2CA12
SCHEMBL472284 0.79 TSHR (0.50) ALDH1A1TP53TSHRSMN1; SMN2CA12
Terephthalic Acid SCHEMBL11564620 0.78 TSHR (0.60) ALDH1A1HTTTP53TSHRSMN1; SMN2
Terephthalic Acid SCHEMBL2160594 0.78 TSHR (0.60) ALDH1A1HTTTP53TSHRSMN1; SMN2
SCHEMBL925065 0.76 TSHR (0.52) ALDH1A1TP53TSHRSMN1; SMN2CA12
SCHEMBL28137613 0.75 MEN1 (0.57) ALDH1A1HTTSMN1; SMN2RAB9AMAPT
Terephthalic Acid SCHEMBL1482407 0.75 TSHR (0.71) ALDH1A1TP53TSHRSMN1; SMN2CA12
Butane SCHEMBL2586584 0.75 NPC1 (0.67) ALDH1A1TP53TSHRSMN1; SMN2CA12
SCHEMBL29114272 0.74 MEN1 (0.47) ALDH1A1HTTTP53TSHRSMN1; SMN2
SCHEMBL472318 0.73 HCAR3 (0.57) ALDH1A1TP53TSHRSMN1; SMN2CA12

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600224-B1 SKIN CARE COMPOSITIONS COMPRISING A TERPOLYMER, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2026-05-06 EP claimed
EP-3099284-B1 OIL-IN-WATER EMULSION SUNSCREEN COMPOSITION ISP INVESTMENTS LLC (US) 2021-07-28 EP claimed
EP-2274324-B1 SUBSTANCES AND COMPOSITIONS FOR ENHANCING DNA REPAIR AND METHODS OF USE UNIV CORNELL (US) 2014-08-06 EP claimed
EP-2379625-B1 UV AND LIGHT PROTECTIVE FILM HUHTAMAKI FORCHHEIM (DE) 2013-02-20 EP claimed
EP-1844106-B1 SILOXANES COMPRISING GUANIDINO GROUPS AND USE THEREOF FOR COSMETIC FORMULATIONS EVONIK GOLDSCHMIDT GMBH (DE) 2012-07-11 EP claimed
US-7825207-B2 Siloxanes containing guanidino groups and use thereof for cosmetic formulations GOLDSCHMIDT GMBH (DE) 2010-11-02 US claimed
EP-1688453-B1 UV light absorbing quaternary polysiloxanes EVONIK GOLDSCHMIDT GMBH (DE) 2008-07-23 EP claimed
US-20060188455-A1 Siloxanes containing guanidino groups and use thereof for cosmetic formulations EVONIK DEGUSSA GMBH (DE) 2006-08-24 US claimed
US-20060188456-A1 UV-light-absorbing quaternary polysiloxanes EVONIK DEGUSSA GMBH (DE) 2006-08-24 US claimed
EP-1688453-A1 UV light absorbing quaternary polysiloxanes Goldschmidt GmbH (DE) 2006-08-09 EP claimed
EP-1285943-B1 Uv-absorbing quaternary polysiloxanes GOLDSCHMIDT GMBH (DE) 2005-10-19 EP claimed
US-6630132-B2 Textile care and cosmetic preparations; quaternization by reacting polysiloxane with a tertiary amine GOLDSCHMIDT AG (DE) 2003-10-07 US claimed
US-20030108494-A1 UV-light-absorbing quaternary polysiloxanes GOLDSCHMIDT AG (DE) 2003-06-12 US claimed
EP-1285943-A2 Uv-absorbing quaternary polysiloxanes Goldschmidt AG (DE) 2003-02-26 EP claimed
EP-0761201-B1 Ultraviolet radiation absorption composition ROHM & HAAS (US) 2002-01-09 EP claimed
US-20120248758-A1 SECURITY DOCUMENT THE GOVERNOR & COMPANY OF THE BANK OF ENGLAND (GB) 2012-10-04 US disclosed
US-7776989-B2 UV-light-absorbing quaternary polysiloxanes EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-17 US disclosed
US-20030108494-A1 UV-light-absorbing quaternary polysiloxanes GOLDSCHMIDT AG (DE) 2003-06-12 US disclosed
EP-1285943-A2 Uv-absorbing quaternary polysiloxanes Goldschmidt AG (DE) 2003-02-26 EP disclosed
WO-2002100958-A1 AQUEOUS COATING COMPOSITION CONTAINING UV RADIATION ABSORBING AGENTS RHODIA CHIMIE (FR) 2002-12-19 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 (3 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-20060188455-A1 Siloxanes containing guanidino groups and use thereof for cosmetic formulations UNG, GMPS, GLA ALDH1A1 354/4885HTT 3305/4885TP53 2767/4885
US-20060188456-A1 UV-light-absorbing quaternary polysiloxanes UBE2I, UFL1, ERCC4 ALDH1A1 635/4885HTT 894/4885TP53 1073/4885
US-20030108494-A1 UV-light-absorbing quaternary polysiloxanes CUTA, XRCC5, XRCC6 ALDH1A1 615/4885HTT 268/4885TP53 1230/4885

“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.