SCHEMBL988403

SCHEMBL988403

O=C(O)Cc1ccccn1.[LiH]

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.55
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
POLB P06746 1/20 0.53
IDO1 P14902 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 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
Benzene SCHEMBL11747977 0.98 PTPRA (0.56) PTPRARAB9ANPC1SMN1; SMN2POLB
SCHEMBL29676689 0.98 PTPRA (0.56) PTPRARAB9ANPC1SMN1; SMN2POLB
SCHEMBL21298 0.98 PTPRA (0.56) PTPRARAB9ANPC1SMN1; SMN2POLB
Water SCHEMBL29453011 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6491192 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Water SCHEMBL29453010 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Iodide SCHEMBL2108436 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL334937 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Water SCHEMBL5531145 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB
Ammonia Solution, Strong SCHEMBL28126946 0.96 PTPRA (0.55) PTPRARAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9024061-B2 Methanol carbonylation process with rhodium catalyst and a metallic co-catalyst selected from transition metals, zinc, beryllium, indium, tin, strontium and barium CELANESE INTERNATIONAL CORPORATION (US) 2015-05-05 US disclosed
US-8835681-B2 Methanol carbonylation process with rhodium catalyst and a lanthanide metal co-catalyst CELANESE INTERNATIONAL CORPORATION (US) 2014-09-16 US disclosed
US-8785684-B2 Methanol carbonylation process with rhodium catalyst, an iodide salt and a metallic co-catalyst selected from transition metals, indium, strontium, barium, zinc, tin and heteropoly acids CELANESE INTERNATIONAL CORPORATION (US) 2014-07-22 US disclosed
US-8703075-B2 Acetic acid production by way of carbonylation with enhanced reaction and flashing Celawese International Corp. (US) 2014-04-22 US disclosed
EP-2451766-B1 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING CELANESE INT CORP (US) 2014-03-19 EP disclosed
US-20130165688-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Metallic Co-Catalyst Selected from Transition Metals, Zinc, Beryllium, Indium, Tin, Strontium and Barium CELANESE INTERNATIONAL CORPORATION (US) 2013-06-27 US disclosed
US-8455685-B2 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION (US) 2013-06-04 US disclosed
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst CELANESE INTERNATIONAL CORPORATION (US) 2013-04-25 US disclosed
US-20130102809-A1 Methanol Carbonylation Process with Rhodium Catalyst, an Iodide Salt and a Metallic Co-Catalyst Selected from Transition Metals, Indium, Strontium, Barium, Zinc, Tin and Heteropoly Acids CELANESE INTERNATIONAL CORPORATION (US) 2013-04-25 US disclosed
US-20120183450-A1 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING SCATES MARK O (US) 2012-07-19 US disclosed
EP-2451766-A2 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING Celanese International Corporation (US) 2012-05-16 EP disclosed
US-8168822-B2 Acetic acid production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION (US) 2012-05-01 US disclosed
WO-2011159268-A1 CARBONYLATION PROCESS CELANESE INTERNALTIONAL CORPORATION (US) 2011-12-22 WO disclosed
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION 2011-01-27 US disclosed
US-20110009665-A1 Acetic acid production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION 2011-01-13 US disclosed
WO-2011005304-A2 ACETIC ACID PRODUCTION BY WAY OF CARBONYLATION WITH ENHANCED REACTION AND FLASHING CELANESE INTERNATIONAL CORPORATION (US) 2011-01-13 WO disclosed
US-4872918-A Heterocyclic esters and smoking compositions containing a heterocyclic ester flavorant-release additive PHILIP MORRIS INCORPORATED (US) 1989-10-10 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 (5 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-20110009665-A1 Acetic acid production by way of carbonylation with enhanced reaction and flashing DNMT1, SP1, ME1 PTPRA 1983/4885RAB9A 3386/4885NPC1 4196/4885
US-20130102809-A1 Methanol Carbonylation Process with Rhodium Catalyst, an Iodide Salt and a Metallic Co-Catalyst Selected from Transition Metals, Indium, Strontium, Barium, Zinc, Tin and Heteropoly Acids CCNY, CA9, CA3 PTPRA 1406/4885RAB9A 499/4885NPC1 3760/4885
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CA3, CA4, CA2 PTPRA 2364/4885RAB9A 1535/4885NPC1 4386/4885
US-20130165688-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Metallic Co-Catalyst Selected from Transition Metals, Zinc, Beryllium, Indium, Tin, Strontium and Barium DNMT1, BMI1, KAT5 PTPRA 3720/4885RAB9A 1650/4885NPC1 3696/4885
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst ME1, MLYCD, SP1 PTPRA 2254/4885RAB9A 744/4885NPC1 3514/4885

“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.