SCHEMBL194998

SCHEMBL194998

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
GAA P10253 4/20 0.49
GFER P55789 1/20 0.49
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NR3C1 P04150 1/20 0.41
KDM4E B2RXH2 1/20 0.40
LPAR1 Q92633 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL7904417 0.86 POLB (0.47) POLBHSD17B10TSHRMAPTHPGD
SCHEMBL11156552 0.83 HSD17B10 (0.54) POLBHSD17B10TSHRMAPTGAA
SCHEMBL3709507 0.82 POLB (0.48) POLBHSD17B10TSHRMAPTHPGD
SCHEMBL12425507 0.82 POLB (0.56) POLBHSD17B10TSHRMAPTHPGD
SCHEMBL3709735 0.81 POLB (0.47) POLBHSD17B10TSHRMAPTHPGD
SCHEMBL12904365 0.79 GAA (0.54) POLBHSD17B10TSHRMAPTHPGD
SCHEMBL25376762 0.78 HSD17B10 (0.49) POLBHSD17B10TSHRMAPTGAA
SCHEMBL30582005 0.78 HSD17B10 (0.49) POLBHSD17B10TSHRMAPTGAA
SCHEMBL2126424 0.78 HSD17B10 (0.49) HSD17B10TSHRGAAALDH1A1NPSR1
SCHEMBL5014668 0.77 POLB (0.59) POLBHSD17B10TSHRMAPTHPGD

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 10 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
CN-102333777-A Nitrogen-containing fused heterocyclic compounds and their use as beta-amyloid production inhibitors EISAI R&D MAN CO LTD 2012-01-25 CN 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-2010098495-A1 IMIDAZOLYLPYRAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO 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
WO-2010098488-A1 ARYL IMIDAZOLE COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-4435397-A ADRENERGIC BLOCKING AGENTS, 4-(3-ARYLOXY-2-HYDROXYPROPYL) SUBSTITUTED NIPPON SHINYAKU CO., LTD. (JP) 1984-03-06 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-20120053171-A1 Nitrogen-Containing Fused Heterocyclic Compounds and Their use as Beta Amyloid Production Inhibitors BACE1, APP, PSEN1 POLB 2700/4885HSD17B10 2065/4885TSHR 4466/4885

“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.