SCHEMBL7089012

SCHEMBL7089012

CC(Nc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
MMP2 P08253 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
CYP3A4 P08684 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
CYP1A1 P04798 2/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47
MB P02144 1/20 0.47
CA3 P07451 1/20 0.47
RARG P13631 1/20 0.47
ALOX5AP P20292 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
NR1I3 Q14994 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
SCHEMBL16057214 1.00 CA12 (0.47) CA12CA1CA2MMP2ALDH1A1
SCHEMBL7028109 1.00 CA12 (0.47) CA12CA1CA2MMP2ALDH1A1
SCHEMBL5954851 0.89 MEN1 (0.47) MMP2MEN1KMT2ACA9CA14
SCHEMBL5954848 0.89 MEN1 (0.47) MMP2MEN1KMT2ACA9CA14
SCHEMBL7436999 0.83 CA12 (0.50) CA12CA1ALDH1A1MAPTHPGD
SCHEMBL3078749 0.83 CA12 (0.50) CA12CA1ALDH1A1MAPTHPGD
SCHEMBL29173167 0.83 CA12 (0.50) CA12CA1ALDH1A1MAPTHPGD
SCHEMBL1330911 0.83 TDP1 (0.56) CA12ALDH1A1MAPTCYP3A4MEN1
SCHEMBL1331551 0.83 TDP1 (0.56) CA12ALDH1A1MAPTCYP3A4MEN1
SCHEMBL33928 0.83 TDP1 (0.56) CA12ALDH1A1MAPTCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1665985-A Triazinylaminostilbene disulphonic acid mixtures CIBA SC HOLDING AG (CH) 2005-09-07 CN claimed
US-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2003-03-06 US claimed
US-10234397-B2 Monohydroxyphenyl metabolite urine detection reagent and preparation method thereof JIANGSU DONGBO BIO-PHARMACEUTICAL CO. LTD. (CN) 2019-03-19 US disclosed
US-10234397-B2 Monohydroxyphenyl metabolite urine detection reagent and preparation method thereof JIANGSU DONGBO BIO-PHARMACEUTICAL CO. LTD. (CN) 2019-03-19 US disclosed
US-20170370853-A1 MONOHYDROXYPHENYL METABOLITE URINE DETECTION REAGENT AND PREPARATION METHOD THEREOF JIANGSU DONGBO BIO-PHARMACEUTICAL CO., LTD. (CN) 2017-12-28 US disclosed
US-20170370853-A1 MONOHYDROXYPHENYL METABOLITE URINE DETECTION REAGENT AND PREPARATION METHOD THEREOF JIANGSU DONGBO BIO-PHARMACEUTICAL CO., LTD. (CN) 2017-12-28 US disclosed
WO-2016033337-A1 BIOCOMPATIBLE TISSUE GRAFT THE CLEVELAND CLINIC FOUNDATION (US) 2016-03-03 WO disclosed
CN-100564670-C Triazinylaminostilbedisulphonic disulphonic acid mixtures CIBA SC HOLDING AG (CH) 2009-12-02 CN disclosed
CN-1833072-A Composition for the fluorescent whitening of paper CIBA SC HOLDING AG (CH) 2006-09-13 CN disclosed
CN-1665985-A Triazinylaminostilbene disulphonic acid mixtures CIBA SC HOLDING AG (CH) 2005-09-07 CN disclosed
CN-1636065-A Herbicide-tolerant plants through bypassing metabolic pathway BAYER CROPSCIENCE SA (FR) 2005-07-06 CN disclosed
CN-1398179-A Cosmetic prepns. contg. waltheria indica extracts COGIS FRANCE S A (FR) 2003-02-19 CN disclosed
CN-1365409-A Use of UV absorbers for inhibiting the fluorescence of textile fibre materials treated with optical brighteners CIBA SC HOLDING AG (CH) 2002-08-21 CN disclosed
US-5707842-A ENZYME INHIBITOR IN AIR ON SUBSTRATES FOR CONTROLLERS AMERICAN AIR LIQUIDE, CHICAGO RESEARCH CENTER (US) 1998-01-13 US disclosed
WO-1993007277-A1 EXPRESSION CASSETTE FOR HETEROLOGOUS PROTEINS IN FILAMENTOUS FUNGI DSM N.V. (NL) 1993-04-15 WO disclosed
EP-0111999-B1 SPHERICAL ION EXCHANGE RESIN, METHOD FOR PRODUCING THE SAME AND METHOD FOR ADSORPTION TREATMENT USING THE SAME UNITIKA LTD. (JP) 1989-09-13 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 (1 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-20030045725-A1 Method for the production of aromatic or heteroaromatic aldehydes or ketones by oxidative decarboxylation AOX1, ALDH5A1, AOC2 CA12 884/4885CA1 1255/4885CA2 771/4885

“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.