SCHEMBL721322

SCHEMBL721322

COc1cc(C)c(C(CCCCl)C(=O)NNC(=O)O)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GFER P55789 1/20 0.37
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LPAR1 Q92633 5/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL195211 0.87 KDM4E (0.42) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL194492 0.87 TSHR (0.43) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL195444 0.86 POLB (0.40) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL195368 0.69 POLB (0.55) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL14295929 0.68 POLB (0.66) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL194998 0.64 POLB (0.49) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL8165000 0.64 POLB (0.49) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL7904417 0.63 POLB (0.47) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL6852792 0.62 POLB (0.68) POLBTSHRMAPTHPGDHSD17B10
Thymoquinol Dimethylether SCHEMBL12613923 0.61 POLB (0.66) POLBTSHRMAPTHPGDHSD17B10

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
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

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 POLB 2700/4885TSHR 4466/4885MAPT 8/4885

“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.