SCHEMBL2922550

SCHEMBL2922550

C=CCCCCCCCCCCCCCCCCCCCCCCCCCCCCN1CCC(C=C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
MGLL Q99685 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL787106 1.00 FAAH (0.34) FAAHCHRNB2CHRNA7CHRNA4MGLL
SCHEMBL786721 1.00 FAAH (0.34) FAAHCHRNB2CHRNA7CHRNA4MGLL
SCHEMBL633078 0.93 GBA1 (0.32) KMT2A
SCHEMBL369965 0.86 GBA1 (0.43) FAAHMGLL
SCHEMBL5303207 0.86 GBA1 (0.43) FAAHMGLL
SCHEMBL4282749 0.86 GBA1 (0.43) FAAHMGLL
SCHEMBL2056924 0.86
SCHEMBL7355166 0.78 SMN1; SMN2 (0.32) KMT2A
Water SCHEMBL28388741 0.77 ALDH1A1 (0.33) KMT2A
SCHEMBL7898121 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276230-B2 Sunscreen compounds and compositions containing same and methods for use thereof AVON PRODUCTS, INC. (US) 2007-10-02 US claimed
US-20050136012-A1 Sunscreen compounds and compositions containing same and methods for use thereof NEW AVON LLC (F/K/A C-A NA LLC) 2005-06-23 US claimed
WO-2004010783-A1 INSECT REPELLANT ORBAN GEORGE JOHN (AU) 2004-02-05 WO claimed
US-6284227-B1 Water resistant sunscreen and insect repellent composition IGUANA, LLC 2001-09-04 US claimed
US-5916541-A CONSISTS OF A SUNSCREEN AGENT COMPRISING OCTYL SALICYLATE, OXYBENZONE, OCTYL METHOXYCINNAMATE, AN INSECT REPELLENT SUCH AS N,N-DIETHYL-M-TOLUAMIDE, FILM FORMING POLYMER SUCH AS POLY(VINYL PYRROLIDONE/1-TRIACONTENE), SOLVENT AND EMULSIFIER FARMERS AND MERCHANTS BANK 1999-06-29 US claimed
EP-1463482-B1 PHOTOSTABLE SUNSCREEN COMPOSITIONS AND METHODS OF STABILIZING DIBENZOYLMETHANE AVON PROD INC (US) 2010-08-11 EP disclosed
US-20100062029-A1 Product for the Targeted Release of Active Substances LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2010-03-11 US disclosed
US-20080145388-A1 cosmetic cleaning product for controlling release; two layers define a compartment between them, which contains the active substance and optionally a gas-releasing component; one is impermeable, and one is permeable to the active substance; single use for body care; glove shape LTS LOHMANN THERAPIE-SYSTEME AG (DE) 2008-06-19 US disclosed
US-7276230-B2 Sunscreen compounds and compositions containing same and methods for use thereof AVON PRODUCTS, INC. (US) 2007-10-02 US disclosed
US-7186404-B2 Photostable sunscreen compositions and methods of stabilizing AVON PRODUCTS, INC. (US) 2007-03-06 US disclosed
US-20060153891-A1 Meta-stable insect repellent emulsion composition and method of use GONZALEZ ANTHONY D 2006-07-13 US disclosed
US-20050186159-A1 Photostable sunscreen compositions and methods of stabilizing AVON PRODUCTS, INC. 2005-08-25 US disclosed
WO-2004010783-A1 INSECT REPELLANT ORBAN GEORGE JOHN (AU) 2004-02-05 WO disclosed
US-20030129213-A1 Meta-stable insect repellent emulsion composition and method of use AVON PRODUCTS, INC. 2003-07-10 US disclosed
US-20030124070-A1 Photostable sunscreen compositions and methods of stabilizing AVON PRODUCTS INC. 2003-07-03 US disclosed
WO-2003051318-A1 PHOTOSTABLE SUNSCREEN COMPOSITIONS AND METHODS OF STBAILIZING AVON PRODUCTS, INC. (US) 2003-06-26 WO disclosed
US-6440402-B1 Photostable sunscreen compositions and methods of stabilizing AVON PRODUCTS, INC. 2002-08-27 US disclosed
US-6284227-B1 Water resistant sunscreen and insect repellent composition IGUANA, LLC 2001-09-04 US disclosed
US-5916541-A CONSISTS OF A SUNSCREEN AGENT COMPRISING OCTYL SALICYLATE, OXYBENZONE, OCTYL METHOXYCINNAMATE, AN INSECT REPELLENT SUCH AS N,N-DIETHYL-M-TOLUAMIDE, FILM FORMING POLYMER SUCH AS POLY(VINYL PYRROLIDONE/1-TRIACONTENE), SOLVENT AND EMULSIFIER FARMERS AND MERCHANTS BANK 1999-06-29 US disclosed
US-5389363-A Gel comprising water dissipatable polyester or polyamide, oil in water emulsion containing wax, pigment and oil soluble polymer, such as PVP REVLON CONSUMER PRODUCTS CORPORATION (US) 1995-02-14 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 (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-20050136012-A1 Sunscreen compounds and compositions containing same and methods for use thereof CYP2S1, CYP21A2, CYP19A1 FAAH 670/4885CHRNB2 3703/4885CHRNA7 3475/4885
US-20050186159-A1 Photostable sunscreen compositions and methods of stabilizing GLA, TYR, GANAB FAAH 4212/4885CHRNB2 4142/4885CHRNA7 4108/4885
US-20030124070-A1 Photostable sunscreen compositions and methods of stabilizing GLA, LAGE3, CYP51A1 FAAH 4282/4885CHRNB2 4193/4885CHRNA7 4272/4885

“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.