SCHEMBL12980561

SCHEMBL12980561

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ SYK P43405 1/20 0.39
▸ PRKCA P17252 1/20 0.39
▸ PRKCD Q05655 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PRSS1 P07477 1/20 0.39
▸ PRSS2 P07478 1/20 0.39

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
Hydrochloric Acid SCHEMBL1185110 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KMT2ALTA4HSLC7A5HTT
SCHEMBL12980479 0.90 CFD (0.47) SMN1; SMN2LTA4HSLC7A5HTTMAOB
SCHEMBL12980579 0.82 MAOB (0.37) SMN1; SMN2KMT2ALTA4HHTTMAOB
Hydrochloric Acid SCHEMBL27720967 0.81 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHTTL3MBTL1MAPT
SCHEMBL12980303 0.81 MAOB (0.38) SMN1; SMN2HTTMAOBMCL1ALOX5
SCHEMBL12980387 0.80 PTGER1 (0.54) KMT2AMAOBMCL1CYP2C9
SCHEMBL28295384 0.80 RXRA (0.52) SMN1; SMN2KMT2A
SCHEMBL12980350 0.79 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AHTTMAOBMCL1
SCHEMBL12980377 0.79 MAOB (0.55) SMN1; SMN2KMT2AHTTMAOBL3MBTL1
SCHEMBL1187068 0.78 ALDH1A1 (0.38) SLC7A5MAPT

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 SMN1; SMN2 3096/4885KMT2A 4571/4885LTA4H 154/4885

“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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