SCHEMBL7334716

SCHEMBL7334716

CC[N]C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HSD11B1 P28845 1/20 0.40
NAAA Q02083 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 3/20 0.37
EPHX1 P07099 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7331382 1.00 CES2 (0.44) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL7339919 0.98 CES2 (0.40) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL8385049 0.93
SCHEMBL1678457 0.88
SCHEMBL7303987 0.83 CES2 (0.41) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL8386944 0.80 NAAA (0.38) CES2CES1HSD11B1NAAAHDAC8
SCHEMBL7299667 0.79 NAAA (0.46) CES2CES1NAAAEPHX1
SCHEMBL3927737 0.78 TSHR (0.46) ALDH1A1TSHREPHX1SMN1; SMN2MEN1
SCHEMBL7312858 0.78 NAAA (0.49) CES2CES1NAAAEPHX1
SCHEMBL9238982 0.77 CES2 (0.44) CES2CES1HSD11B1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417787-B Extractant for rapidly and efficiently separating and extracting strontium and preparation method thereof 四川大学 2024-02-02 CN disclosed
CN-115417787-A Extractant for rapidly and efficiently separating and extracting strontium and preparation method thereof 四川大学 2022-12-02 CN disclosed
US-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors EMORY UNIVERSITY 2002-09-12 US disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
US-5614519-A (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists KARL THOMAE GMBH (DE) 1997-03-25 US disclosed
US-5602127-A ADMINISTERING TO TREAT HYPERTENSION KARL THOMAE GMBH (DE) 1997-02-11 US disclosed
US-5594003-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-14 US disclosed
US-5591762-A HYPOTENSIVE AGENTS DR. KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
US-4756741-A Azolyloxy-carboxylic acid amide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4218378-A 11a-Methano-TXA compounds THE UPJOHN COMPANY (US) 1980-08-19 US disclosed
US-4140863-A 9,11-Dihalo-PG2 compounds THE UPJOHN COMPANY (US) 1979-02-20 US disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4118584-A 9-Deoxy-9-methylene-16-phenyl-PGF compounds THE UPJOHN COMPANY (US) 1978-10-03 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4110532-A PROSTAGLANDINS, SMOOTH MUSCLE STIMULANTS THE UPJOHN COMPANY (US) 1978-08-29 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4098805-A 9-DEOXY-9-METHYLENE-PGF-TYPE AMIDES THE UPJOHN COMPANY (US) 1978-07-04 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 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 (1 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-20020128208-A1 Nonpeptide agonists and antagonists of vasopressin receptors AVPR1A, AVPR2, AVPR1B CES2 3090/4885CES1 2288/4885HSD11B1 1683/4885

“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.