SCHEMBL5649769

SCHEMBL5649769

COC(=O)CCCNC=O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ADH1B P00325 3/20 0.48
ADH1A P07327 3/20 0.48
ADH7 P40394 3/20 0.48
ADH1C P00326 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.46
ADH4 P08319 1/20 0.46
EPHX2 P34913 4/20 0.44
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 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
SCHEMBL6005313 0.96 TSHR (0.58) TSHRADH1BADH1AADH7ADH1C
SCHEMBL7003589 0.94 TSHR (0.56) TSHRADH1BADH1AADH7ADH1C
SCHEMBL222757 0.94 TSHR (0.56) TSHRADH1BADH1AADH7ADH1C
SCHEMBL841504 0.86
SCHEMBL5651631 0.82 CYP1A2 (0.52) TSHRADH1BADH1AADH7ADH1C
SCHEMBL14430277 0.81 TSHR (0.70) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL23876838 0.81 DGKA (0.43) TSHRADH1BADH1AADH7ADH1C
SCHEMBL8176277 0.78 CYP1A2 (0.52) TSHRADH1BADH1AADH7ADH1C
SCHEMBL39539 0.77
SCHEMBL2586098 0.77 TSHR (0.64) 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP claimed
WO-2021191035-A1 DIOXAZOLINES AND THEIR USE AS HERBICIDES BASF SE (DE) 2021-09-30 WO disclosed
EP-2563847-B1 MCR DENDRIMERS LEIBNIZ INST FÜR PFLANZENBIOCHEMIE IPB (DE) 2016-04-13 EP disclosed
US-8865863-B2 MCR dendrimers Leibniz-Institut fur Pflandzenbiochemie (DE) 2014-10-21 US disclosed
US-8865863-B2 MCR dendrimers Leibniz-Institut fur Pflandzenbiochemie (DE) 2014-10-21 US disclosed
US-20130203960-A1 MCR DENDRIMERS Leibniz-Institut fur Pflanzenbiochemie (DE) 2013-08-08 US disclosed
US-20130203960-A1 MCR DENDRIMERS Leibniz-Institut fur Pflanzenbiochemie (DE) 2013-08-08 US disclosed
WO-2011134607-A1 MCR DENDRIMERS LEIBNIZ-INSTITUT FÜR PFLANZENBIOCHEMIE (DE) 2011-11-03 WO disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US 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-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0180897-A2 5-Fluorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 TSHR 499/4885ADH1B 2746/4885ADH1A 2285/4885
US-20130203960-A1 MCR DENDRIMERS MCRS1, APC, GRPR TSHR 1634/4885ADH1B 3544/4885ADH1A 4492/4885

“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.