SCHEMBL4622869

SCHEMBL4622869

O=C(O)Nc1ccccc1Cc1ccccc1NC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL4172605 0.90 L3MBTL1 (0.70) L3MBTL1ALDH1A1HPGDPOLBMAPT
SCHEMBL4250189 0.89 RAB9A (0.50) L3MBTL1ALDH1A1MAPTGAAHTT
Hydrochloric Acid SCHEMBL11164652 0.88 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDPOLBMAPT
SCHEMBL27547012 0.88 L3MBTL1 (0.68) L3MBTL1ALDH1A1HPGDPOLBMAPT
SCHEMBL22210650 0.88 L3MBTL1 (0.77) L3MBTL1ALDH1A1HPGDPOLBMAPT
SCHEMBL22210638 0.88 HDAC3 (0.53) L3MBTL1ALDH1A1HPGDPOLBHDAC3
SCHEMBL948318 0.87 MAPT (0.59) L3MBTL1ALDH1A1HPGDPOLBHDAC3
Hydrochloric Acid SCHEMBL22346017 0.85 MAPT (0.58) L3MBTL1ALDH1A1HPGDPOLBHDAC3
SCHEMBL648646 0.85 ALDH1A1 (0.66) L3MBTL1ALDH1A1HPGDPOLBHDAC3
SCHEMBL4621396 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1HPGDPOLBHTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420013-B1 Process for hydrogenating aromatic urethanes in the presence of a supported ruthenium catalyst EVONIK DEGUSSA GMBH (DE) 2008-04-02 EP claimed
EP-1420012-B1 Process for the preparation of aliphatic isocyanates from aromatic isocyanates DEGUSSA (DE) 2006-11-02 EP claimed
US-6924385-B2 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2005-08-02 US claimed
US-6809215-B2 SUCH AS CONVERSION OF DIBUTYL 4,4'-METHYLENEDICARBANILATE TO DIBUTYL 4,4'-METHYLENEDICYCLOHEXYLCARBAMATE WITH LOW TRANS-TRANS ISOMER CONTENT DEGUSSA AG (DE) 2004-10-26 US claimed
US-20040097752-A1 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DEGUSSA AG (DE) 2004-05-20 US claimed
US-20040097661-A1 Method for hydrogenation of aromatic urethanes in the presence of a supported rutheniun catalyst DEGUSSA AG (DE) 2004-05-20 US claimed
EP-1420012-A1 Process for the preparation of aliphatic isocyanates from aromatic isocyanates Degussa AG (DE) 2004-05-19 EP claimed
EP-1420013-A1 Process for hydrogenating aromatic urethanes in the presence of a supported ruthenium catalyst Degussa AG (DE) 2004-05-19 EP claimed
EP-0027330-B1 PROCESS FOR THE PRODUCTION OF METHYLENEDICARBANILATES AND THE COMPOUNDS THUS OBTAINED MITSUBISHI KASEI CORPORATION (JP) 1984-12-12 EP claimed
US-4476317-A HETEROPOLYMOLYBDIC ACID OR HETEROPOLYTUNGSTIC ACID MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1984-10-09 US claimed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP claimed
JP-3083959-A None JP disclosed
JP-56057758-A None JP disclosed
JP-56057759-A None JP disclosed
JP-56057761-A None JP disclosed
JP-S5657759-A PREPARATION OF METHYLENEDICARBANILATE MITSUBISHI CHEM IND LTD 1981-05-20 JP disclosed
JP-S5657758-A PREPARATION OF METHYLENEDICARBANILATE MITSUBISHI CHEM IND LTD 1981-05-20 JP disclosed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP disclosed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 EP disclosed
EP-0027330-A1 Process for the production of methylenedicarbanilates and the compounds thus obtained MITSUBISHI KASEI CORPORATION (JP) 1981-04-22 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 (2 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-20040097752-A1 Method for synthesis of aliphatic isocyanates from aromatic isocyanates DBI, ALKBH3, ECI1 L3MBTL1 3094/4885ALDH1A1 921/4885HPGD 1051/4885
US-20040097661-A1 Method for hydrogenation of aromatic urethanes in the presence of a supported rutheniun catalyst HRH4, BET1, HRH3 L3MBTL1 4008/4885ALDH1A1 2849/4885HPGD 597/4885

“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.