SCHEMBL986770

SCHEMBL986770

O=C(O)Cc1cccnc1.[LiH]

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.96
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
TBXAS1 P24557 9/20 0.59
AKR1B1 P15121 1/20 0.56
KDM4E B2RXH2 1/20 0.54
RECQL P46063 1/20 0.51
EPHX2 P34913 1/20 0.51
IDO1 P14902 1/20 0.51

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
SCHEMBL48609 0.98 NAPRT (1.00) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL29430342 0.98 NAPRT (1.00) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Water SCHEMBL27728999 0.96 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL26689831 0.96 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL177895 0.96 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
SCHEMBL26116267 0.96 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL5332088 0.96 NAPRT (0.96) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Hydrochloric Acid SCHEMBL27823037 0.94 NAPRT (0.92) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Sulfuric Acid SCHEMBL6676982 0.91 NAPRT (0.86) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1
Alcohol SCHEMBL28317498 0.91 NAPRT (0.86) NAPRTCYP1A2CYP3A4CYP2C9TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428660-B Process for producing acetic acid 国际人造丝公司 2022-02-15 CN disclosed
CN-107207392-B Process for producing acetic acid 国际人造丝公司 2021-06-08 CN disclosed
CN-108349865-B Process for producing acetic acid 国际人造丝公司 2021-05-11 CN disclosed
CN-107207391-B Process for producing acetic acid 国际人造丝公司 2020-11-06 CN disclosed
EP-3277654-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2020-08-12 EP disclosed
EP-3374342-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2020-07-08 EP disclosed
EP-3250545-B1 PROCESSES FOR PRODUCING ACETIC ACID CELANESE INT CORP (US) 2019-06-26 EP disclosed
EP-3374342-A1 PROCESSES FOR PRODUCING ACETIC ACID Celanese International Corporation (US) 2018-09-19 EP disclosed
CN-108349865-A The method for producing acetic acid 国际人造丝公司 2018-07-31 CN disclosed
US-9957216-B2 Processes for producing acetic acid CELANESE INTERNATIONAL CORPORATION (US) 2018-05-01 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
CN-103038206-A Carbonylation process CELANESE INTERNALTIONAL CORP 2013-04-10 CN 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

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-20110009665-A1 Acetic acid production by way of carbonylation with enhanced reaction and flashing DNMT1, SP1, ME1 NAPRT 4001/4885CYP1A2 381/4885CYP3A4 119/4885
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 NAPRT 3524/4885CYP1A2 637/4885CYP3A4 672/4885
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CA3, CA4, CA2 NAPRT 4568/4885CYP1A2 559/4885CYP3A4 245/4885
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst ME1, MLYCD, SP1 NAPRT 4336/4885CYP1A2 814/4885CYP3A4 580/4885

“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.