SCHEMBL268552

SCHEMBL268552

COc1cccc(CCC(C)=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
KDM4E B2RXH2 1/20 0.69
NPC1 O15118 1/20 0.69
LMNA P02545 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
MAPT P10636 1/20 0.69
MAOA P21397 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MTNR1A P48039 2/20 0.61
MTNR1B P49286 2/20 0.61
TAAR1 Q96RJ0 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 1/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56

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
SCHEMBL9627098 0.90 MTNR1A (0.67) RAB9AKDM4ENPC1LMNATP53
SCHEMBL7332474 0.88 TAAR1 (0.61) RAB9AMTNR1AMTNR1BTAAR1HDAC1
SCHEMBL346302 0.86 FFAR1 (0.65) RAB9ALMNACYP1A2MTNR1AMTNR1B
SCHEMBL9626622 0.85 MAOB (0.65) RAB9AKDM4ENPC1LMNATP53
SCHEMBL13314605 0.85 ALDH1A1 (0.55) RAB9AKDM4ENPC1LMNATP53
SCHEMBL3257076 0.85 HDAC1 (0.57) RAB9ASMN1; SMN2MTNR1AMTNR1BTAAR1
SCHEMBL7979541 0.85 HDAC1 (0.57) RAB9AMTNR1AMTNR1BTAAR1HDAC1
SCHEMBL660540 0.85 TAAR1 (0.62) RAB9AMTNR1AMTNR1BTAAR1HDAC1
SCHEMBL63100 0.85 HDAC1 (0.61) RAB9ACYP1A2MTNR1AMTNR1BTAAR1
SCHEMBL13545161 0.85 MTNR1A (0.61) RAB9AMTNR1AMTNR1BTAAR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11964935-B2 Gingerol derivative having inhibitory activity against biofilm formation and pharmaceutical composition comprising same as effective ingredient for preventing or treating biofilm-caused infection symptom KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, SEJONG CAMPUS (KR) 2024-04-23 US disclosed
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
CN-113912556-B Synthesis method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2023-06-09 CN disclosed
CN-113912556-A Synthetic method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2022-01-11 CN disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20200283364-A1 GINGEROL DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST BIOFILM FORMATION AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING BIOFILM-CAUSED INFECTION SYMPTOM KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION, SEJONG CAMPUS (KR) 2020-09-10 US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 US disclosed
US-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-27 US disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-4960798-A Methods for the treatment of angina MCNEILAB, INC. (US) 1990-10-02 US disclosed
US-4898889-A Methods for the treatment of hypertension MCNEILAB, INC. (US) 1990-02-06 US disclosed
US-4742084-A Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives MCNEILAB, INC. (US) 1988-05-03 US disclosed
EP-0155079-B1 ACETYLENE AMINES AND THEIR USE AS VASODILATORS AND ANTIHYPERTENSIVES McNeilab, Inc. (US) 1988-02-17 EP disclosed
US-4725602-A Acetylene amines and their use as vasodilators and antihypertensives MCNEILAB, INC. (US) 1988-02-16 US disclosed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP disclosed
US-4661635-A ANTIARRHYTHMIA AGENTS MCNEILAB, INC. (US) 1987-04-28 US disclosed
EP-0155079-A1 Acetylene amines and their use as vasodilators and antihypertensives McNeilab, Inc. (US) 1985-09-18 EP disclosed
EP-0146271-A2 Aralykyl (arylethynyl) aralkyl amines for use as vasodilators and antihypertensives McNeilab, Inc. (US) 1985-06-26 EP disclosed
EP-0145361-A2 Acetylene derivatives for the treatment of hypertension and angina McNeilab, Inc. (US) 1985-06-19 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 (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-20170210734-A1 Substituted Azaspiro(4.5)Decane Derivatives OPRL1, OPRM1, OPRD1 RAB9A 4272/4885KDM4E 2287/4885NPC1 2092/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 RAB9A 2667/4885KDM4E 2270/4885NPC1 161/4885
US-20200283364-A1 GINGEROL DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST BIOFILM FORMATION AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING BIOFILM-CAUSED INFECTION SYMPTOM LSS, F2R, CFTR RAB9A 1134/4885KDM4E 4545/4885NPC1 794/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 RAB9A 2667/4885KDM4E 2270/4885NPC1 161/4885
US-11964935-B2 Gingerol derivative having inhibitory activity against biofilm formation and pharmaceutical composition comprising same as effective ingredient for preventing or treating biofilm-caused infection symptom LSS, F2R, CFTR RAB9A 1134/4885KDM4E 4545/4885NPC1 794/4885

“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.