SCHEMBL2820180

SCHEMBL2820180

N#Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MRGPRX4 Q96LA9 2/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL19695306 0.84 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ETSHRTP53
SCHEMBL4844022 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMRGPRX4TSHR
SCHEMBL29472005 0.83 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMRGPRX4TSHR
SCHEMBL9082494 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4EMRGPRX4CA12
Hydrochloric Acid SCHEMBL26690143 0.82 ALDH1A1 (0.48) ALDH1A1HPGDKDM4ETSHRTP53
SCHEMBL7293957 0.82 KDM4E (0.48) ALDH1A1KDM4ETSHRTP53CA12
SCHEMBL5006696 0.80 KDM4E (0.47) ALDH1A1KDM4ETSHRTP53CA12
SCHEMBL7196160 0.80 XDH (0.46) KDM4EMRGPRX4CA1CA2XDH
SCHEMBL1267736 0.80 KDM4E (0.57) ALDH1A1HPGDKDM4ETSHRTP53
SCHEMBL2818986 0.79 CA12 (0.50) ALDH1A1HPGDKDM4ECA12CA1

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-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US disclosed
US-7687236-B2 Fluorescent nucleobase conjugates having anionic linkers APPLIED BIOSYSTEMS, LLC (US) 2010-03-30 US disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
US-20090092986-A1 Fluorescent Nucleobase Conjugates Having Anionic Linkers APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
US-20080124534-A1 Polyamide, Film, and Image Display Device FUJIFILM CORPORATION (JP) 2008-05-29 US disclosed
WO-2006030873-A1 POLYAMIDE, FILM, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2006-03-23 WO disclosed
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2005-11-10 US disclosed
US-6811979-B2 NUCLEOTIDE DERIVATIVE FOR USE IN SEQUENCE DETERMINATION OF NUCLEIC ACID MOLECULE APPLERA CORPORATION 2004-11-02 US disclosed
EP-1317464-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Applera Corporation (US) 2003-06-11 EP disclosed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 US disclosed
WO-2002030944-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORPORATION (US) 2002-04-18 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 (4 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-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 ALDH1A1 642/4885HPGD 260/4885KDM4E 2691/4885
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B ALDH1A1 2642/4885HPGD 3173/4885KDM4E 1295/4885
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS DNTT, DUT, NT5C3B ALDH1A1 2642/4885HPGD 3173/4885KDM4E 1295/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B ALDH1A1 2642/4885HPGD 3173/4885KDM4E 1295/4885

“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.