SCHEMBL2171728

SCHEMBL2171728

C/C(=C/CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.47
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39

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
SCHEMBL3588721 1.00 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL2171729 1.00 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL5525241 0.87 SMN1; SMN2 (0.50)
SCHEMBL6496296 0.87 SMN1; SMN2 (0.50)
SCHEMBL5525240 0.87 SMN1; SMN2 (0.50)
SCHEMBL9790466 0.84 KDM1A (0.46) KDM1AMTNR1AMTNR1B
SCHEMBL9790462 0.84 KDM1A (0.46) KDM1AMTNR1AMTNR1B
SCHEMBL9790470 0.84 KDM1A (0.46) KDM1AMTNR1AMTNR1B
SCHEMBL30705332 0.83 KDM1A (0.44) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9790505 0.82 KDM1A (0.44) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US claimed
US-8614267-B2 Method for producing mono-hydroxyfunctionalized dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2013-12-24 US claimed
EP-2352735-B1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT FINANCE BVI LTD (VG) 2013-12-11 EP claimed
EP-2346885-B1 METHOD FOR PRODUCING MONO-CARBOXY-FUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INT LTD (CH) 2013-08-28 EP claimed
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2011-08-18 US claimed
EP-2352735-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF Clariant International Ltd. (CH) 2011-08-10 EP claimed
EP-2346885-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF Clariant International Ltd. (CH) 2011-07-27 EP claimed
WO-2010051884-A1 METHOD FOR PRODUCING MONO-HYDROXYFUNCTIONALIZED DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
WO-2010051883-A1 METHOD FOR PRODUCING DIALKYLPHOSPHINIC ACIDS AND ESTERS AND SALTS THEREOF BY MEANS OF ALLYL ALCOHOLS/ACROLEINS AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2010-05-14 WO claimed
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE DAIKIN INDUSTRIES, LTD. (JP) 2025-02-13 US disclosed
US-12162854-B2 Production method for fluoromethyl derivative DAIKIN INDUSTRIES, LTD. (JP) 2024-12-10 US disclosed
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 US disclosed
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS MCMASTER UNIVERSITY (CA) 2024-05-09 US disclosed
CN-114787283-B Composition for fiber-reinforced resin, and method for producing fiber-reinforced resin 荒川化学工业株式会社 2024-02-27 CN disclosed
EP-1149067-B1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
EP-1149067-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6310247-B1 HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER HOFFMANN-LA ROCHE INC. 2001-10-30 US disclosed
WO-2000035856-A1 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
US-4219683-A USING A PALLADIUM-THORIUM OXIDE CATALYST PHILLIPS PETROLEUM COMPANY (US) 1980-08-26 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 (6 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 KDM1A 4102/4885MTNR1A 308/4885MTNR1B 101/4885
US-20240150269-A1 PROCESSES FOR THE PREPARATION OF ORTHO-ALLYLATED HYDROXY ARYL COMPOUNDS ADH1A, ADH1C, AHR KDM1A 541/4885MTNR1A 2075/4885MTNR1B 2091/4885
US-12162854-B2 Production method for fluoromethyl derivative AFF1, AFF2, ROS1 KDM1A 888/4885MTNR1A 1558/4885MTNR1B 1009/4885
US-20110201733-A1 Method for Producing Mono-Hydroxyfunctionalized Dialkylphosphinic Acids and Esters and Salts Thereof By Means of Allyl Alcohols and Use Thereof HAO2, ALOX5, AOC3 KDM1A 3686/4885MTNR1A 2196/4885MTNR1B 2052/4885
US-20250051299-A1 PRODUCTION METHOD FOR FLUOROMETHYL DERIVATIVE AFF1, AFF2, ROS1 KDM1A 888/4885MTNR1A 1558/4885MTNR1B 1009/4885
US-20110201732-A1 Method for Producing Dialkylphosphinic Acids and Esters and Salts Thereof by Means of Allyl Alcohols-Acroleins and use Thereof AOC3, SCO2, AOC2 KDM1A 4128/4885MTNR1A 2985/4885MTNR1B 3136/4885

“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.