SCHEMBL2548786

SCHEMBL2548786

CCOC(=O)C1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
TP53 P04637 1/20 0.47
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR2 Q92731 1/20 0.44

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
SCHEMBL7971105 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL7971103 0.86 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL16477198 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL22852265 0.85 LMNA (0.46) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL15897682 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBTP53
SCHEMBL11468493 0.84 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL7719203 0.84 MEN1 (0.55) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL29283290 0.84 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL31731664 0.82 MEN1 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL31731186 0.82 MEN1 (0.45) ALDH1A1MEN1KMT2APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552919-B1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
US-8420633-B2 Aryl-cyclohexyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2552919-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. Hoffmann-La Roche AG (CH) 2013-02-06 EP disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed
WO-2011120877-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-06 WO disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 US disclosed
US-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES HOFFMANN-LA ROCHE, INC. 2011-10-06 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-20110245237-A1 ARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES AVPR1A, AVPR1B, OXTR ALDH1A1 638/4885TDP1 4608/4885MEN1 2076/4885

“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.