SCHEMBL194592

SCHEMBL194592

COc1ccc(C2(F)CC2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 1/20 0.41
TUBB1 Q9H4B7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
PRKDC P78527 1/20 0.39
ERN1 O75460 6/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
TLR6 Q9Y2C9 1/20 0.37
AOX1 Q06278 1/20 0.37
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL24635508 0.81 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL23802086 0.80 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL10321078 0.79 ALDH1A1 (0.44) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL7586055 0.77 PDE4B (0.48) ALDH1A1TSHRKDM4ETDP1
SCHEMBL10320513 0.76 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL11185676 0.75 ALDH1A1 (0.43) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL20379847 0.75 LMNA (0.43) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL7586053 0.75 MEN1 (0.51) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL8325426 0.75 ALDH1A1 (0.40) ALDH1A1TSHRKDM4ETDP1LMNA
SCHEMBL251712 0.75 MAOA (0.44) ALDH1A1KDM4ELMNAHPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754100-B2 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-06-17 US disclosed
EP-2615090-A1 Nitrogen-containing fused heterocyclic compounds and their use as beta amyloid production inhibitors Eisai R&D Management Co., Ltd. (JP) 2013-07-17 EP disclosed
EP-2401276-B1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MAN CO LTD (JP) 2013-06-05 EP disclosed
US-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors EISAI R&D MANAGEMENT CO., LTD., (JP) 2012-03-01 US disclosed
EP-2401276-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS Eisai R&D Management Co., Ltd. (JP) 2012-01-04 EP disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 ALDH1A1 3158/4885TSHR 4466/4885KDM4E 3198/4885

“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.