SCHEMBL12255658

SCHEMBL12255658

CC(OC(=O)OC1CCCCC1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
EPHX1 P07099 2/20 0.40
NAAA Q02083 2/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2C19 P33261 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CTSK P43235 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL16731581 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL15944506 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL15944505 1.00 CYP19A1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL12306247 0.98 CYP19A1 (0.40) CYP19A1EPHX1NAAAHTTSMN1; SMN2
SCHEMBL12306249 0.91 CYP19A1 (0.32) CYP19A1HTTSMN1; SMN2KDM4E
SCHEMBL6445826 0.88 SERPINE1 (0.35) CYP19A1
SCHEMBL18995117 0.84 CYP19A1 (0.35) CYP19A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL19500215 0.84
SCHEMBL20051876 0.84 CYP19A1 (0.35) CYP19A1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL16840156 0.81 EPHX1 (0.42) CYP19A1EPHX1NAAAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 US disclosed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
US-11547687-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-01-10 US disclosed
US-20210059966-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-04 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-10744104-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 US disclosed
US-20140228323-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-8445476-B2 Carbacephem β-lactam antibiotics ACHAOGEN, INC. (US) 2013-05-21 US disclosed
US-20130109639-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-02 US disclosed
US-20130109639-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-02 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2011-09-15 US disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 US disclosed
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS ACHAOGEN, INC. (US) 2010-10-21 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 (13 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-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-20110224186-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CYP19A1 673/4885EPHX1 3549/4885NAAA 889/4885
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 CYP19A1 1704/4885EPHX1 4446/4885NAAA 2804/4885
US-20130109639-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-11547687-B2 Neprilysin inhibitors MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CYP19A1 562/4885EPHX1 2131/4885NAAA 2330/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CYP19A1 518/4885EPHX1 444/4885NAAA 1071/4885
US-20100267686-A1 CARBACEPHEM BETA-LACTAM ANTIBIOTICS MGAM, MGAM2, B2M CYP19A1 901/4885EPHX1 4059/4885NAAA 565/4885
US-10744104-B2 Neprilysin inhibitors MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-20210059966-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-20140228323-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS MME, REN, ENPP1 CYP19A1 2507/4885EPHX1 358/4885NAAA 447/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE CYP19A1 3157/4885EPHX1 927/4885NAAA 191/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CYP19A1 285/4885EPHX1 204/4885NAAA 1797/4885

“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.