SCHEMBL987989

SCHEMBL987989

O=C(O)Cc1ccncc1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
NAPRT Q6XQN6 2/20 0.55
CA2 P00918 1/20 0.54
CAMK2A Q9UQM7 1/20 0.54
CYP19A1 P11511 3/20 0.53
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52

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
SCHEMBL48554 0.98 AKR1B1 (0.61) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL11097357 0.95 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
SCHEMBL26114653 0.95 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL367129 0.95 AKR1B1 (0.58) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL28071881 0.93 AKR1B1 (0.56) AKR1B1NAPRTCA2CAMK2ACYP19A1
Phenylacetic Acid SCHEMBL8733324 0.89 AKR1B1 (0.71) AKR1B1NAPRTCA2CAMK2ACYP19A1
SCHEMBL5149062 0.85 ABCC4 (0.67) AKR1B1NAPRTCA2CAMK2AGAA
Phenylacetic Acid SCHEMBL8586416 0.82 AKR1B1 (0.74) AKR1B1NAPRTCA2CAMK2ACYP19A1
Hydrochloric Acid SCHEMBL8073173 0.81 NAPRT (0.83) AKR1B1NAPRTCYP19A1ALDH1A1GAA
SCHEMBL27567828 0.80 ALDH1A1 (0.51) AKR1B1NAPRTCA2CYP19A1ALDH1A1

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 42 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-8455685-B2 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CELANESE INTERNATIONAL CORPORATION (US) 2013-06-04 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-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst 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

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 AKR1B1 376/4885NAPRT 4001/4885CA2 47/4885
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 AKR1B1 2087/4885NAPRT 3524/4885CA2 28/4885
US-20110021816-A1 Acetic anhydride production by way of carbonylation with enhanced reaction and flashing CA3, CA4, CA2 AKR1B1 615/4885NAPRT 4568/4885CA2 3/4885
US-20130102810-A1 Methanol Carbonylation Process with Rhodium Catalyst and a Lanthanide Metal Co-Catalyst ME1, MLYCD, SP1 AKR1B1 1567/4885NAPRT 4336/4885CA2 23/4885

“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.