SCHEMBL1629577

SCHEMBL1629577

COC(=O)c1ccc(CCC(C)=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.64
CYP4F2 P78329 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.59
ALDH1A1 P00352 3/20 0.55
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
CKS1B P61024 1/20 0.53
SKP2 Q13309 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA12 O43570 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
SCHEMBL3933575 0.89 CYP4A11 (0.70) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL2442432 0.88 NPC1 (0.66) CYP4A11ALDH1A1MAPTLMNANPC1
SCHEMBL4238755 0.88 MEN1 (0.59) CYP4A11CYP4F2LOXL2ALDH1A1CYP2C9
SCHEMBL1643935 0.87 CYP4A11 (0.66) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL10661898 0.86 CYP4A11 (0.69) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL70185 0.86 CYP4A11 (0.75) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL2499088 0.85 CYP4A11 (0.64) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL661620 0.85 CYP4A11 (0.64) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL23582799 0.84 LOXL2 (0.62) CYP4A11CYP4F2LOXL2ALDH1A1TP53
SCHEMBL14157135 0.84 CYP4A11 (0.62) CYP4A11CYP4F2LOXL2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013164856-A1 A PROCESS FOR PREPARING INTERMEDIATES OF 10-PROPARGYL-10-DEAZAAMINOPTERIN (PRALATREXATE) SYNTHESIS AND THE INTERMEDIATES THEREOF AVRA LABORATORIES PRIVATE LIMITED (IN) 2013-11-07 WO claimed
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
CN-110023309-B Indazole derivatives as glucagon receptor antagonists 詹森药业有限公司 2022-08-09 CN disclosed
CN-109923109-B Indazole derivatives as glucagon receptor antagonists 詹森药业有限公司 2022-06-17 CN disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2021-09-30 US disclosed
EP-3385253-B1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING INC (US) 2021-04-07 EP disclosed
EP-0006735-B1 SECONDARY AMINES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
US-4385066-A DIETETICS, HYPERGLYCEMIC AGENTS ANTIINFLAMMATORY AGENTS BEECHAM GROUP LIMITED (GB) 1983-05-24 US disclosed
EP-0021636-B1 SECONDARY AMINES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-12-01 EP disclosed
EP-0007204-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, USE AND PREPARATION ELI LILLY AND COMPANY (US) 1982-11-24 EP disclosed
US-4329358-A 3-Chlorophenyl anti-obesity agents BEECHAM GROUP LIMITED (GB) 1982-05-11 US disclosed
EP-0040915-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-12-02 EP disclosed
EP-0028105-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-05-06 EP disclosed
EP-0021636-A1 Secondary amines, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-01-07 EP disclosed
EP-0007204-A1 Phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 EP disclosed
EP-0006735-A1 Secondary amines, their preparation, pharmaceutical compositions containing them and their use BEECHAM GROUP PLC (GB) 1980-01-09 EP 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 (2 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-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR CYP4A11 1530/4885CYP4F2 572/4885LOXL2 1394/4885
US-20210300878-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 CYP4A11 4708/4885CYP4F2 3563/4885LOXL2 2686/4885

“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.