SCHEMBL444923

SCHEMBL444923

COc1cccc(OC)c1C([O])=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA4 P22748 1/20 0.48
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL11755425 0.83 CA1 (0.71) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.81 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL598460 0.81 CA9 (0.68) CA12CA1CA2CA7CA9
Methyl 2,6-Dimethoxybenzoate SCHEMBL2095636 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL5260335 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL28906099 0.79 CA12 (0.95) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL7867072 0.79 CA12 (0.95) CA12CA1CA2CA7CA9
SCHEMBL8527413 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL104667 0.79 CA12 (0.65) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL11457745 0.79 CA12 (0.95) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617292-B2 Method for producing novel organometallic complex and amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2017-04-11 US disclosed
US-20160060282-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2016-03-03 US disclosed
EP-2990409-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND Kanto Kagaku Kabushiki Kaisha (JP) 2016-03-02 EP disclosed
EP-2431353-B1 Process for preparing amine compound KANTO KAGAKU (JP) 2016-01-20 EP disclosed
US-9211533-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-12-15 US disclosed
US-9162934-B2 Process for producing optically active alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-10-20 US disclosed
EP-2239057-B1 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU (JP) 2015-06-03 EP disclosed
EP-2228377-B1 Novel organometallic complex and process for preparing amine compound KANTO KAGAKU (JP) 2014-07-30 EP disclosed
EP-2394977-B1 Process for producing optically active alcohol KANTO KAGAKU (JP) 2014-01-08 EP disclosed
US-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-12-19 US disclosed
US-8481735-B2 Organic metal complex and process for preparing amine compound KANTO KAGAKU KABUSHIKI KAISHA (JP) 2013-07-09 US disclosed
US-8232420-B2 Asymmetric catalyst and process for preparing optically active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-07-31 US disclosed
EP-2431353-A1 Process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2012-03-21 EP disclosed
US-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2012-03-15 US disclosed
EP-2394977-A1 Process for producing optically active alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2011-12-14 EP disclosed
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL KANTO KAGAKU KABUSHIKI KAISHA (JP) 2011-11-17 US disclosed
US-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-10-14 US disclosed
EP-2239057-A1 Asymmetric catalyst and process for preparing optically active alcohols using the same Kanto Kagaku Kabushiki Kaisha (JP) 2010-10-13 EP disclosed
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2228377-A1 Novel organometallic complex and process for preparing amine compound Kanto Kagaku Kabushiki Kaisha (JP) 2010-09-15 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 (6 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-20100261924-A1 ASYMMETRIC CATALYST AND PROCESS FOR PREPARING OPTICALLY ACTIVE ALCOHOLS USING THE SAME ADH1A, ADH1C, ADH5 CA12 3021/4885CA1 1506/4885CA2 826/4885
US-20120065426-A1 PROCESS FOR PREPARING AMINE COMPOUND PNMT, HNMT, GNMT CA12 3371/4885CA1 3792/4885CA2 4472/4885
US-20130338359-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 CA12 967/4885CA1 1251/4885CA2 1296/4885
US-20100234596-A1 NOVEL ORGANIC METAL COMPLEX AND PROCESS FOR PREPARING AMINE COMPOUND ODC1, AOC2, AOC1 CA12 967/4885CA1 1251/4885CA2 1296/4885
US-20110282077-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, ADH5 CA12 1339/4885CA1 1041/4885CA2 713/4885
US-20160060282-A1 METHOD FOR PRODUCING NOVEL ORGANOMETALLIC COMPLEX AND AMINE COMPOUND GNMT, HNMT, CYP4F11 CA12 1858/4885CA1 2784/4885CA2 2602/4885

“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.