SCHEMBL2124073

SCHEMBL2124073

CC(C)CC(=O)/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HAO1 Q9UJM8 1/20 0.58
TDP1 Q9NUW8 2/20 0.55
GLA P06280 1/20 0.55
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PLIN1 O60240 2/20 0.53
RECQL P46063 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
TNKS O95271 1/20 0.53

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
SCHEMBL2124075 1.00 ALDH1A1 (0.58) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL30422118 0.88 HDAC3 (0.53) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL20972761 0.88 HDAC3 (0.53) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL14389416 0.84 ALDH1A1 (0.53) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL15272367 0.84 AKR1B1 (0.67) CYP2C9HCAR2CYP2D6F3MAOB
SCHEMBL15272368 0.84 AKR1B1 (0.67) CYP2C9HCAR2CYP2D6F3MAOB
Cinnamic Acid SCHEMBL363485 0.82 HCAR2 (0.66) ALDH1A1HAO1TDP1GLAMAPT
Cinnamic Acid SCHEMBL363486 0.82 HCAR2 (0.66) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL9004166 0.82 ALDH1A1 (0.64) ALDH1A1HAO1TDP1GLAMAPT
SCHEMBL15272572 0.82 MMP1 (0.50) MAOBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112430473-B Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material 西安交通大学 2021-08-13 CN claimed
CN-112430473-A Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material 西安交通大学 2021-03-02 CN claimed
EP-2847318-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES Marrone Bio Innovations, Inc. (US) 2015-03-18 EP claimed
US-20150031534-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES PRO FARM GROUP, INC. 2015-01-29 US claimed
WO-2013138398-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS, METABOLITES AND USES MARRONE BIO INNOVATIONS, INC. (US) 2013-09-19 WO claimed
CN-117293301-A Sulfur-carbon composite material and preparation method and application thereof 天目湖先进储能技术研究院有限公司 2023-12-26 CN disclosed
CN-113620901-A Crown ether derived chiral 1,1 '-bi-2, 2' -naphthol, preparation method and application thereof 杭州师范大学 2021-11-09 CN disclosed
CN-112430473-B Method for synthesizing biomass high-density aviation fuel by using damascenone as raw material 西安交通大学 2021-08-13 CN disclosed
US-20210227833-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES MARRONE BIO INNOVATIONS, INC. (US) 2021-07-29 US disclosed
US-20210227833-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES MARRONE BIO INNOVATIONS, INC. (US) 2021-07-29 US disclosed
US-11013236-B2 Pesticidal Flavobacterium strain and bioactive compositions metabolites and uses MARRONE BIO INNOVATIONS, INC. (US) 2021-05-25 US disclosed
US-11013236-B2 Pesticidal Flavobacterium strain and bioactive compositions metabolites and uses MARRONE BIO INNOVATIONS, INC. (US) 2021-05-25 US disclosed
US-5622964-A ADMINISTERING 4,6,7,8-TETRAHYDRO-5(1H)-QUINOLONE DERIVATIVE TO TREAT ASTHMA IN MAMMALS ZENECA LIMITED (GB) 1997-04-22 US disclosed
US-5455253-A For urinary incontinence ZENECA LIMITED (GB) 1995-10-03 US disclosed
WO-1995015316-A1 SUBSTITUTED PYRAZOLYL BENZENESULFONAMIDES FOR THE TREATMENT OF INFLAMMATION G. D. SEARLE & CO. (US) 1995-06-08 WO disclosed
WO-1994008966-A1 QUINOLONE AND ACRIDINONE DERIVATIVES FOR THE TREATMENT OF URINARY INCONTINENCE ZENECA LIMITED (GB) 1994-04-28 WO disclosed
EP-0267794-B1 PROCESS FOR PREPARING POLYOLEFINS Nippon Petrochemicals Co., Ltd. (JP) 1993-05-05 EP disclosed
US-5068477-A Impregnation with reducing agent, decomposition with heat and drying EUROPEENNE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-11-26 US disclosed
US-5032565-A Using aldehyde, ketone, alcohol, ether or acid EUROPEENNE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-07-16 US disclosed
EP-0267794-A2 Process for preparing polyolefins Nippon Petrochemicals Co., Ltd. (JP) 1988-05-18 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-20210227833-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES BLVRB, PRDX6, ACHE ALDH1A1 3340/4885HAO1 2308/4885TDP1 1630/4885
US-20150031534-A1 PESTICIDAL FLAVOBACTERIUM STRAIN AND BIOACTIVE COMPOSITIONS METABOLITES AND USES BLVRB, PRDX6, ACHE ALDH1A1 3340/4885HAO1 2308/4885TDP1 1630/4885
US-11013236-B2 Pesticidal Flavobacterium strain and bioactive compositions metabolites and uses BLVRB, PRDX6, ACHE ALDH1A1 3340/4885HAO1 2308/4885TDP1 1630/4885

“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.