SCHEMBL3748244

SCHEMBL3748244

CC(C)=CCOC(=O)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.59
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
ESR2 Q92731 2/20 0.59
TRPV1 Q8NER1 1/20 0.57
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CHRM1 P11229 1/20 0.56
SLC6A2 P23975 1/20 0.56
KDR P35968 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPK1 P28482 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 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
SCHEMBL15940240 0.86 TRPV1 (0.80) TRPV1ALDH1A1
SCHEMBL10424971 0.86 TRPV1 (0.57) ESR1CA12CA1CA2CA7
SCHEMBL8618533 0.85 TRPV1 (0.78) TRPV1ALDH1A1
SCHEMBL8618528 0.85 TRPV1 (0.78) TRPV1ALDH1A1
SCHEMBL2833266 0.84 TRPV1 (0.56) TRPV1ALDH1A1MEN1KMT2ALMNA
SCHEMBL5925543 0.84 LMNA (0.61) TRPV1TSHRALDH1A1LMNACYP1A2
Benzoic Acid 3-Methyl-2-Butenyl Ester SCHEMBL873002 0.84 TRPV1 (0.55) TRPV1TSHRALDH1A1SLC6A2TDP1
SCHEMBL5301347 0.81 ALDH1A1 (0.55) TRPV1TSHRALDH1A1MAPK1LMNA
SCHEMBL27871910 0.81 CA12 (0.63) ESR1CA12CA1CA2CA7
SCHEMBL31182 0.78 SNCA (0.59) ESR1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060035981-A1 Inhibition of anaerobic glucose metabolism and corresponding composition as a natural non-toxic approach to cancer treatment MAZZIO ELIZABETH A 2006-02-16 US claimed
WO-2006017494-A2 INHIBITION OF ANAEROBIC GLUCOSE METABOLISM MAZZIO ELIZABETH (US) 2006-02-16 WO claimed
CN-115725067-B Preparation method of high-workability sulfonic acid group monomer for synthesizing polycarboxylate superplasticizer monomer through micro-channels 抚顺东科精细化工有限公司 2024-11-15 CN disclosed
CN-103608323-B The method for the treatment of central nerve neuroma 博格有限责任公司 2016-08-17 CN disclosed
US-8802161-B2 Herbal composition and method of use for the treatment of cancer FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 2014-08-12 US disclosed
CN-103608323-A Methods of treating central nervous system tumors BERG PHARMA LLC 2014-02-26 CN disclosed
CN-102481269-A Methods of treating diseases using epimetabolic shifters (coenzyme Q10) CYTOTECH LABS LLC 2012-05-30 CN disclosed
CN-102483419-A Methods for the diagnosis of metabolic disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers CYTOTECH LABS LLC 2012-05-30 CN disclosed
CN-102481270-A Methods for treatment of oncological disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers CYTOTECH LABS LLC 2012-05-30 CN disclosed
CN-102481271-A Methods for treatment of metabolic disorders using epimetabolic shifters, multidimensional intracellular molecules, or environmental influencers CYTOTECH LABS LLC 2012-05-30 CN disclosed
US-20100209388-A1 Nutraceutical composition and method of use for treatment / prevention of cancer FLORIDA A & M UNIVERSITY 2010-08-19 US disclosed
US-20070248693-A1 Nutraceutical composition and method of use for treatment / prevention of cancer MAZZIO ELIZABETH 2007-10-25 US disclosed
US-20060068386-A1 Complete genome and protein sequence of the hyperthermophile methanopyrus kandleri av19 and monophyly of archael methanogens and methods of use thereof SLESAREV ALEXEI 2006-03-30 US disclosed
US-20060035981-A1 Inhibition of anaerobic glucose metabolism and corresponding composition as a natural non-toxic approach to cancer treatment MAZZIO ELIZABETH A 2006-02-16 US disclosed
WO-2006017494-A2 INHIBITION OF ANAEROBIC GLUCOSE METABOLISM MAZZIO ELIZABETH (US) 2006-02-16 WO 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-20100209388-A1 Nutraceutical composition and method of use for treatment / prevention of cancer DLD, MDH1, MDH2 ESR1 2921/4885CA12 638/4885CA1 561/4885
US-20060035981-A1 Inhibition of anaerobic glucose metabolism and corresponding composition as a natural non-toxic approach to cancer treatment G6PD, PDK2, SDHA ESR1 3164/4885CA12 2801/4885CA1 1905/4885
US-20070248693-A1 Nutraceutical composition and method of use for treatment / prevention of cancer DLD, DERA, ALDOA ESR1 4232/4885CA12 2018/4885CA1 2350/4885

“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.