SCHEMBL195368

SCHEMBL195368

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
TSHR P16473 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.51
GFER P55789 1/20 0.51
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 4/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 3/20 0.39
LPAR1 Q92633 2/20 0.38
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37

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
SCHEMBL3678216 0.86 PTGS2 (0.48) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL14295929 0.82 POLB (0.66) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL29689484 0.79 PTGS2 (0.48) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL30824278 0.77 PTGS2 (0.55) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL490436 0.77 PTGS2 (0.55) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL194492 0.76 TSHR (0.43) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL6852792 0.76 POLB (0.68) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL27991671 0.75 POLB (0.42) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL8165000 0.74 POLB (0.49) POLBTSHRMAPTHPGDHSD17B10
SCHEMBL194998 0.74 POLB (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.