SCHEMBL3748239

SCHEMBL3748239

CC(C)=CCc1cc(O)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
HTT P42858 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL15940242 0.87 CTSK (0.55) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL15940239 0.87 CTSK (0.55) PTPN1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1908071 0.81 ALDH1A1 (0.52) MEN1KMT2AHPGDALDH1A1CA12
SCHEMBL10828138 0.80 ALDH1A1 (0.47) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL28007312 0.79 HTT (0.56) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL17912502 0.79 CA12 (0.46) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL39010 0.78 CA12 (0.57) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL28126806 0.78 CA12 (0.57) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL27203725 0.78 MEN1 (0.47) PTPN1HTTMEN1KMT2AHPGD
SCHEMBL7198618 0.77 FOLH1 (0.50) HTTMEN1KMT2AHPGDCYP1A2

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
CN-101903513-A Compositions and methods for enhancing tolerance for the production of organic chemicals produced by microorganisms UNIV COLORADO 2010-12-01 CN claimed
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
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-101218352-B Production of carotenoids in oleaginous yeast and fungi MICROBIA INC 2013-09-04 CN disclosed
CN-101903513-B Compositions and methods for enhancing tolerance for the production of organic chemicals produced by microorganisms UNIV COLORADO 2013-08-21 CN disclosed
CN-101903513-A Compositions and methods for enhancing tolerance for the production of organic chemicals produced by microorganisms UNIV COLORADO 2010-12-01 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
CN-101218352-A Production of carotenoids in oleaginous yeast and fungi MICROBIA INC (US) 2008-07-09 CN 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
US-4169940-A CHEMICAL OXIDATION OF NOVOBIOCIN AND PRODUCTS OBTAINED THEREFROM THE UPJOHN COMPANY (US) 1979-10-02 US disclosed
US-4147704-A Derivatives of novobiocin THE UPJOHN COMPANY (US) 1979-04-03 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 (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 PTPN1 4860/4885HTT 4223/4885MEN1 624/4885
US-20060035981-A1 Inhibition of anaerobic glucose metabolism and corresponding composition as a natural non-toxic approach to cancer treatment G6PD, PDK2, SDHA PTPN1 1577/4885HTT 4848/4885MEN1 2991/4885
US-20070248693-A1 Nutraceutical composition and method of use for treatment / prevention of cancer DLD, DERA, ALDOA PTPN1 4648/4885HTT 4472/4885MEN1 3188/4885

“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.