SCHEMBL4862191

SCHEMBL4862191

CC1(C=O)CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM1A O60341 3/20 0.51
AKR1B1 P15121 1/20 0.44
SIGMAR1 Q99720 5/20 0.40
EBP Q15125 1/20 0.39
CASP6 P55212 1/20 0.39
TP53 P04637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL12305110 0.89 MEN1 (0.44) MEN1KMT2AKDM1ASIGMAR1TP53
SCHEMBL28282552 0.79 KDM1A (0.47) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL2091146 0.76 KDM1A (0.45) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL27467088 0.75 AKR1B1 (0.44) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL27635341 0.75 AKR1B1 (0.44) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL27635358 0.75 AKR1B1 (0.44) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL6495897 0.75 KDM1A (0.51) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL578812 0.75 KDM1A (0.59) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL29556050 0.75 KDM1A (0.59) MEN1KMT2AKDM1AAKR1B1SIGMAR1
SCHEMBL19577941 0.75 KDM1A (0.47) MEN1KMT2AKDM1AAKR1B1SIGMAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-03-19 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
US-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-17 US disclosed
CN-100545140-C High-purity (fluoroalkyl) benzene derivative and preparation method thereof MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-30 CN disclosed
US-7405331-B2 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-07-29 US disclosed
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2006-07-27 US disclosed
CN-1653029-A High-purity (fluoroalkyl) benzene derivative and preparation method thereof MITSUBISHI GAS CHEMICAL CO (JP) 2005-08-10 CN disclosed
EP-1500641-A1 HIGH-PURITY (FLUOROALKYL)BENZENE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-01-26 EP disclosed
EP-0360324-B1 TRICYCLIC AROMATASE INHIBITORS AKZO N.V. (NL) 1992-11-11 EP disclosed
US-5019585-A Tricyclic aromatase inhibitors AKZO N.V. (NL) 1991-05-28 US disclosed
EP-0360324-A1 Tricyclic aromatase inhibitors AKZO N.V. (NL) 1990-03-28 EP 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-20180134654-A1 ACETYLENIC CYANOENONES AS THERAPEUTICS FOR INFLAMMATION AND CARCINOGENESIS ACOX3, ACOT7, ACOX1 MEN1 3215/4885KMT2A 2593/4885KDM1A 2909/4885
US-20060167324-A1 High-purity (fluoroalkyl)benzene derivative and process for producing the same HBB, AFF4, AFF2 MEN1 4285/4885KMT2A 1619/4885KDM1A 2443/4885
US-10233146-B2 Acetylenic cyanoenones as therapeutics for inflammation and carcinogenesis ACOX3, ACOT7, ACOX1 MEN1 3187/4885KMT2A 2612/4885KDM1A 2917/4885

“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.