SCHEMBL81487

SCHEMBL81487

CCCC(C#CCI)OC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Hydantoin SCHEMBL1982241 0.82
SCHEMBL27224370 0.79 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28216788 0.73 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27780478 0.70 CA2 (0.39) TDP1
SCHEMBL28413616 0.66 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27906526 0.65 HDAC1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL29602658 0.65 HDAC1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1834073 0.65 HDAC1 (0.46) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL5701793 0.64 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27780428 0.64 CA2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155441-A1 Cosmetic Use of Substituted Amino Heterocylic Carbamoyl Analogs and Related Compounds AVON PRODUCTS, INC. (US) 2014-06-05 US claimed
WO-2021102113-A1 SUNSCREEN COMPOSITIONS WITH MULTIPLE PHOTOPROTECTING UV FILTERS COTY INC. (US) 2021-05-27 WO disclosed
US-20200345013-A1 ANTI-ADHERENT BOTANICAL COMPOSITIONS KIMBERLY CLARK CO (US) 2020-11-05 US disclosed
US-10717946-B2 Water soluble essential oils and their use Kimberly-Clark Worldside, Inc. (US) 2020-07-21 US disclosed
EP-2516429-B1 PAXILLIN STIMULATING COMPOSITIONS AND COSMETIC USES THEREOF AVON PROD INC (US) 2020-06-24 EP disclosed
US-10251831-B2 Extract for treating wrinkles and/or fine lines AVON PRODUCTS, INC. (US) 2019-04-09 US disclosed
US-10195136-B2 Collagen and elastin stimulating compositions and uses thereof AVON PRODUCTS, INC. (US) 2019-02-05 US disclosed
EP-2747573-B1 COLLAGEN AND ELASTIN STIMULATING COMPOSITIONS AND USES THEREOF AVON PROD INC (US) 2018-04-18 EP disclosed
US-20170367350-A1 ANTI-ADHERENT BOTANICAL COMPOSITIONS KIMBERLY CLARK CO (US) 2017-12-28 US disclosed
US-9757327-B2 Abutilon indicum extracts and methods of use AVON PRODUCTS, INC. (US) 2017-09-12 US disclosed
WO-2011068595-A1 TOPICAL COMPOSITIONS CONTAINING DERRIS SCANDENS BENTH. AND A METHOD OF TREATING SKIN AVON PRODUCTS, INC. (US) 2011-06-09 WO disclosed
US-20110052517-A1 Cosmetic Uses of Modified Stressed Yeast Extracts and Related Compositions Avon Place (US) 2011-03-03 US disclosed
WO-2010108098-A1 COUNTERMEASURE METHODS AND DEVICES OREGON BIOMEDICAL ENGINEERING INSTITUTE, INC. (US) 2010-09-23 WO disclosed
WO-2010077396-A1 TOPICAL COMPOSITIONS CONTAINING MELICOPE HAYESII AND A METHOD OF TREATING SKIN AVON PRODUCTS, INC. (US) 2010-07-08 WO disclosed
WO-2010075004-A1 TOPICAL COMPOSITIONS CONTAINING CIS-6-NONENOL AND ITS DERIVATIVES AND METHODS FOR TREATING SKIN AVON PRODUCTS, INC. (US) 2010-07-01 WO disclosed
US-20100168126-A1 Cosmetic Use of 1-Aroyl-N-(2-oxo-3-piperidinyl)-2-piperazine Carbomamides and Related Compounds AVON PRODUCTS, INC. (US) 2010-07-01 US disclosed
US-20100168127-A1 Cosmetic Use of 1-Aroyl-N-(2-oxo-3-piperidinyl)-2-piperazine Carbomamides and Related Compounds AVON PRODUCTS, INC. (US) 2010-07-01 US disclosed
US-20100166677-A1 Use of Tiliacora Triandra in Cosmetics and Compositions Thereof AVON PRODUCTS, INC. (US) 2010-07-01 US disclosed
US-20100158828-A1 Topical Compositions Containing CIS-6-Nonenol and its Derivatives and Methods for Treating Skin AVON PRODUCTS, INC. (US) 2010-06-24 US disclosed
US-7592024-B1 Topical compositions containing melicope hayselii and a method of treating skin AVON PRODUCTS, INC. (US) 2009-09-22 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 (5 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-20100158828-A1 Topical Compositions Containing CIS-6-Nonenol and its Derivatives and Methods for Treating Skin ACSL6, EBP, ELOVL6 CHRM1 4117/4885AKR1A1 970/4885CHRM3 3956/4885
US-20100168126-A1 Cosmetic Use of 1-Aroyl-N-(2-oxo-3-piperidinyl)-2-piperazine Carbomamides and Related Compounds SIRT2, AADAC, SIRT4 CHRM1 1307/4885AKR1A1 3023/4885CHRM3 1416/4885
US-20140155441-A1 Cosmetic Use of Substituted Amino Heterocylic Carbamoyl Analogs and Related Compounds AADAC, GLA, TYR CHRM1 3615/4885AKR1A1 3788/4885CHRM3 3913/4885
US-20100168127-A1 Cosmetic Use of 1-Aroyl-N-(2-oxo-3-piperidinyl)-2-piperazine Carbomamides and Related Compounds SIRT2, AADAC, SIRT4 CHRM1 1307/4885AKR1A1 3023/4885CHRM3 1416/4885
US-10251831-B2 Extract for treating wrinkles and/or fine lines LIMS1, CDC42BPG, FN1 CHRM1 1522/4885AKR1A1 4771/4885CHRM3 977/4885

“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.