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SCHEMBL2542874

SCHEMBL2542874

COC(=O)[C@H]1CC[C@H](C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTR1F P30939 1/20 0.47
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ TAS1R2 Q8TE23 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIN1 Q13526 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
SCHEMBL2542875 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2541850 0.88 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2541855 0.88 L3MBTL1 (0.54) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2542830 0.83 CES2 (0.41) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2542824 0.83 CES2 (0.41) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2542827 0.83 CES2 (0.41) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2585624 0.83 CES2 (0.41) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2542831 0.83 CES2 (0.41) ALDH1A1MEN1KMT2AHTR1FCES2
SCHEMBL2166124 0.82 GAA (0.45) ALDH1A1MEN1KMT2ACES2CES1
SCHEMBL2538030 0.82 GAA (0.45) ALDH1A1MEN1KMT2ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571879-B1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2015-10-21 — — EP disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
US-8481528-B2 Heterobiaryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-07-09 — — US disclosed
EP-2571879-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 — — EP disclosed
WO-2011134877-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-11-03 — — WO disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — US disclosed
US-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-27 — — 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-20110263573-A1 HETEROBIARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1B, AVPR1A, AVPR2 ALDH1A1 1257/4885MEN1 1623/4885KMT2A 3903/4885

“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.