SCHEMBL588390

SCHEMBL588390

C=CC(=O)Oc1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK14 Q16539 1/20 0.38
TYMS P04818 1/20 0.38
NOTUM Q6P988 1/20 0.37
LPAR1 Q92633 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
Hydrochloric Acid SCHEMBL28538972 0.98 SMN1; SMN2 (0.44) SMN1; SMN2THRATHRBMAPK1GAA
Cyclohexane SCHEMBL343647 0.95 SMN1; SMN2 (0.46) SMN1; SMN2THRATHRBMAPK1GAA
SCHEMBL11423211 0.91 SMN1; SMN2 (0.40) SMN1; SMN2THRATHRBMAPK1GAA
SCHEMBL28065492 0.85 THRB (0.40) SMN1; SMN2THRATHRBMAPK1GAA
SCHEMBL4971294 0.84 THRB (0.47) SMN1; SMN2THRATHRBMAPK1ALDH1A1
SCHEMBL3935187 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1GAAALDH1A1HPGD
SCHEMBL28707999 0.83 THRB (0.46) SMN1; SMN2THRATHRBMAPK1ALDH1A1
SCHEMBL29413361 0.81 THRB (0.56) SMN1; SMN2THRATHRBMAPK1ALDH1A1
SCHEMBL3841280 0.81 THRB (0.56) SMN1; SMN2THRATHRBMAPK1ALDH1A1
SCHEMBL16182859 0.80 FFAR1 (0.45) SMN1; SMN2THRATHRBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1649895-A2 Oxidizing composition comprising at least one electrophilic monomer and an oxidant with exception of benzoquinone L'OREAL (FR) 2006-04-26 EP claimed
EP-3375799-B1 METHOD FOR PRODUCING SEMI-IPN COMPOSITE AND METHOD FOR PRODUCING MOISTURE-PERMEABLE FILM DAINIPPON INK & CHEMICALS (JP) 2025-09-03 EP disclosed
CN-115362215-B Aqueous resin composition and coating agent DIC株式会社 2024-10-18 CN disclosed
CN-115362215-A Aqueous resin composition and coating agent DIC株式会社 2022-11-18 CN disclosed
EP-3375794-B1 METHOD FOR PRODUCING SEMI-IPN COMPOSITE AND METHOD FOR PRODUCING SYNTHETIC LEATHER DAINIPPON INK & CHEMICALS (JP) 2022-10-26 EP disclosed
CN-111918881-B Novel photocrosslinkable alginic acid derivative 持田制药株式会社 2022-08-12 CN disclosed
CN-114539280-A Novel compound and structure for detecting hydrogen sulfide 佳能株式会社 2022-05-27 CN disclosed
US-20220162226-A1 NOVEL COMPOUND AND STRUCTURAL BODY FOR DETECTING HYDROGEN SULFIDE CANON KABUSHIKI KAISHA (JP) 2022-05-26 US disclosed
CN-109790372-B Aqueous resin composition, coating agent, and article DIC株式会社 2022-03-11 CN disclosed
CN-109790371-B Method for producing semi-IPN type complex DIC株式会社 2021-07-20 CN disclosed
EP-1647258-A1 Hair care composition based on electrophilic monomers and lubricating solid micro or nano particles L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647259-A1 use for treatment of keratinic materials of compositions comprising electrophilic monomers and agents forming liquid crystals L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647260-A1 use for cosmetic treatment of keratinic material of a composition comprising an electrophilic monomer and a non-siloxane polymer, thereby achieving a soft coating L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647264-A1 use for cosmetic treatment of keratinic material of a composition comprising an electrophilic monomer and a non-siloxane polymer, thereby achieving a rigid coating L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647265-A1 Use for the cosmetic treatment of keratinous material of non sticky compositions based on electrophilic monomeres and non-silicon polymers L'OREAL (FR) 2006-04-19 EP disclosed
EP-1647262-A1 Anhyrous cosmetic composition comprising electrophilic monomers and acid, and use for cosmetic treatment of hair L'OREAL (FR) 2006-04-19 EP disclosed
WO-2005092633-A1 A SYSTEM AND A METHOD FOR FORMING A HEAT FUSIBLE MICROPOROUS INK RECEPTIVE COATING HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-10-06 WO disclosed
US-6565945-B1 For use in ultraviolet radiation flexographic printing OJI PAPER CO. LTD. (JP) 2003-05-20 US disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed
US-5603757-A PHOTOCHROMIC MATERIAL ENCAPSULATED SO AS TO ADHERE IT TO SURFACE OF BRIGHTENING PIGMENT NIPPON PAINT CO., LTD. (JP) 1997-02-18 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 (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-20220162226-A1 NOVEL COMPOUND AND STRUCTURAL BODY FOR DETECTING HYDROGEN SULFIDE SQOR, CBS, XDH SMN1; SMN2 2319/4885THRA 3543/4885THRB 3073/4885

“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.