SCHEMBL13153193

SCHEMBL13153193

CC(C)n1cc(OCCN2CCOCC2)ccc1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA1 P00915 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SCN1A P35498 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
SCHEMBL13153189 0.87 PSMB1 (0.58) ALDH1A1KDM4EKCNH2HRH3
SCHEMBL13181192 0.84 GAA (0.56) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL22757286 0.77 SIGMAR1 (0.48) SMN1; SMN2ALDH1A1SIGMAR1HRH3
SCHEMBL15630158 0.75 MEN1 (0.64) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL104326 0.75 MEN1 (0.70) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL23742316 0.75 ALDH1A1 (0.85) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL29508217 0.73 ALDH1A1 (0.88) KMT2AGAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL82383 0.73 ALDH1A1 (0.67) GAASMN1; SMN2ALDH1A1KDM4ECA12
SCHEMBL5604414 0.73 KDM4E (0.62) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL8245065 0.73 LTA4H (0.64) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 — — US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 — — US disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 — — 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 (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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 MEN1 1280/4885KMT2A 3134/4885GAA 386/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 MEN1 1280/4885KMT2A 3134/4885GAA 386/4885

“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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