SCHEMBL12980032

SCHEMBL12980032

CCC(N=C=O)c1ccc(OCc2ccccc2)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ POLB P06746 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ FOLH1 Q04609 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ F7 P08709 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ F3 P13726 1/20 0.36
▸ PRSS3 P35030 1/20 0.36

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
SCHEMBL12980579 0.93 MAOB (0.37) POLBL3MBTL1MEN1GAAKMT2A
SCHEMBL12980303 0.82 MAOB (0.38) L3MBTL1SMN1; SMN2HTTMAPTCYP2C9
Hydrochloric Acid SCHEMBL1185110 0.81 SMN1; SMN2 (0.41) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL12980184 0.77 APP (0.35) ALDH1A1
SCHEMBL12980561 0.75 SMN1; SMN2 (0.43) L3MBTL1KMT2ALMNAF2F7
SCHEMBL1193691 0.74 SLC7A5 (0.45) ALDH1A1LMNACYP2C19TDP1
SCHEMBL1185563 0.74 ALDH1A1 (0.54) KDM4EALDH1A1POLBL3MBTL1FOLH1
SCHEMBL12980479 0.73 CFD (0.47) KDM4EL3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL12979510 0.73 CA12 (0.40) MEN1KMT2AMAPTCYP2C19
SCHEMBL1194496 0.73 HTT (0.34) ALDH1A1POLBL3MBTL1MEN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518056-B1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO CO LTD (JP) 2015-07-29 — — EP disclosed
US-8846660-B2 Seven-membered ring compound and pharmaceutical use therefor DAIICHI SANKYO COMPANY, LTD. (JP) 2014-09-30 — — US disclosed
EP-2518056-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-31 — — EP disclosed
US-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR DAIICHI SANKYO COMPANY LIMITED (JP) 2012-10-11 — — 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-20120259111-A1 SEVEN-MEMBERED RING COMPOUND AND PHARMACEUTICAL USE THEREFOR CMA1, CPA3, TMPRSS15 KDM4E 4560/4885ALDH1A1 2094/4885POLB 2751/4885

“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.

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