SCHEMBL6005313

SCHEMBL6005313

COC(=O)CCCCNC=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ADH1B P00325 3/20 0.48
ADH1A P07327 3/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 2/20 0.48
EPHX2 P34913 4/20 0.47
EPHX1 P07099 1/20 0.46
ADH4 P08319 1/20 0.46
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL7003589 0.98 TSHR (0.56) TSHRLMNAALDH1A1ADH1BADH1A
SCHEMBL222757 0.98 TSHR (0.56) TSHRLMNAALDH1A1ADH1BADH1A
SCHEMBL5649769 0.96 TSHR (0.58) TSHRLMNAALDH1A1ADH1BADH1A
SCHEMBL841504 0.86
SCHEMBL16730520 0.82 TSHR (0.64) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL8214934 0.82 TSHR (0.64) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL20283628 0.82 TSHR (0.64) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL2586098 0.82 TSHR (0.64) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL8176277 0.82 CYP1A2 (0.52) TSHRALDH1A1ADH1BADH1AADH7
SCHEMBL14975 0.81 TSHR (0.88) TSHRLMNAALDH1A1EPHX2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020961-A Antiviral compound 吉利德制药有限责任公司 2018-12-18 CN disclosed
CN-104230900-B Antiviral compound 吉利德制药有限责任公司 2018-10-19 CN disclosed
CN-106588890-A Antiviral compounds 吉利德制药有限责任公司 2017-04-26 CN disclosed
CN-104211713-B Antiviral compounds 吉利德制药有限责任公司 2017-04-12 CN disclosed
CN-104211689-B Antiviral compounds 吉利德制药有限责任公司 2017-01-18 CN disclosed
CN-104016971-B Antiviral compound PHARMASSET INC. (US) 2016-05-25 CN disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-0436902-B1 5-Fluorouracil derivatives OTSUKA PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0436902-A1 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-07-17 EP disclosed
US-4983609-A Anticancer agents OTSUKA PHARMACEUTICAL (JP) 1991-01-08 US disclosed
US-4864021-A ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-09-05 US disclosed
EP-0323441-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-05 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 TSHR 2490/4885LMNA 4676/4885ALDH1A1 228/4885

“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.