SCHEMBL1021995

SCHEMBL1021995

CCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCC)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPK1 P28482 2/20 0.67
HPGD P15428 7/20 0.58
TP53 P04637 2/20 0.58
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
MAPT P10636 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
CASP1 P29466 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MCL1 Q07820 1/20 0.55
KMT2A Q03164 2/20 0.50
SAE1 Q9UBE0 1/20 0.50
UBA2 Q9UBT2 1/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL27110837 0.95 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL4237996 0.92 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL19399318 0.91 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL7562459 0.91 SMN1; SMN2 (0.77) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL1022959 0.90 RAB9A (0.68) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL12927962 0.90 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL7472487 0.90 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL984289 0.89 RAB9A (0.62) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL13387551 0.88 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1HPGDTP53
SCHEMBL9211588 0.88 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1MAPK1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637445-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-05-02 US disclosed
EP-2147909-B1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-12-14 EP disclosed
US-9234067-B2 Material forming supramolecular structures, process and uses HENKEL AG & CO. KGAA (DE) 2016-01-12 US disclosed
EP-1792925-B1 Novel material forming supramolecular structures, process and uses HENKEL AG & CO KGAA (DE) 2015-10-07 EP disclosed
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-17 US disclosed
US-9056819-B2 Isocyanate production process using composition containing carbamic acid ester and aromatic hydroxy compound, and composition for transfer and storage of carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-06-16 US disclosed
EP-2088138-B1 Process for producing isocyanate ASAHI KASEI CHEMICALS CORP (JP) 2013-02-27 EP disclosed
US-8362293-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2013-01-29 US disclosed
US-8053595-B2 Process for producing isocyanates ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-11-08 US disclosed
EP-2088137-B1 A PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORP (JP) 2011-01-12 EP disclosed
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES AHAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-02-04 US disclosed
EP-2147909-A1 METHOD FOR PRODUCTION OF ISOCYANATE USING COMPOSITION COMPRISING CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND, AND COMPOSITION FOR TRANSPORT OR STORAGE OF CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2010-01-27 EP disclosed
US-20090291236-A1 METHOD FOR PRODUCING SHAPE-ANISOTROPIC METAL PARTICLES, COLORING COMPOSITION, PHOTOSENSITIVE TRANSFER MATERIAL, SUBSTRATE WITH A BLACK IMAGE, COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2009-11-26 US disclosed
US-20090291236-A1 METHOD FOR PRODUCING SHAPE-ANISOTROPIC METAL PARTICLES, COLORING COMPOSITION, PHOTOSENSITIVE TRANSFER MATERIAL, SUBSTRATE WITH A BLACK IMAGE, COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM CORPORATION (JP) 2009-11-26 US disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
US-20080200718-A1 Reacting (thio)isocyanate with amine, alcohol or thiol HENKEL KGAA (DE) 2008-08-21 US disclosed
EP-1792925-A1 Novel material forming supramolecular structures, process and uses National Starch and Chemical Investment Holding Corporation (US) 2007-06-06 EP disclosed
US-4069240-A GROUP 8 METAL CATALYST UNIROYAL, INC. (US) 1978-01-17 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 (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-20100029981-A1 PROCESS FOR PRODUCING ISOCYANATES PAH, ALKBH3, GRHPR SMN1; SMN2 4580/4885ALDH1A1 906/4885MAPK1 2340/4885
US-20100069665-A1 PROCESS FOR PRODUCING ISOCYANATES CPS1, IDH2, PHGDH SMN1; SMN2 3651/4885ALDH1A1 1960/4885MAPK1 3838/4885
US-20080200718-A1 Reacting (thio)isocyanate with amine, alcohol or thiol TST, CBR3, TBCB SMN1; SMN2 2986/4885ALDH1A1 747/4885MAPK1 2651/4885
US-20150259279-A1 Isocyanate Production Process Using Composition Containing Carbamic Acid Ester and Aromatic Hydroxy Compound, and Composition for Transfer and Storage of Carbamic Acid Ester PAH, APEH, CPS1 SMN1; SMN2 4075/4885ALDH1A1 2908/4885MAPK1 3960/4885

“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.