SCHEMBL13420804

SCHEMBL13420804

C/C=C1/CC[C@H]2[C@@H]3CCC4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 4/20 0.58
▸ GRIN2B Q13224 4/20 0.58
▸ MAPK1 P28482 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GPBAR1 Q8TDU6 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SHBG P04278 2/20 0.42
▸ SERPINA6 P08185 2/20 0.42
▸ HSD17B3 P37058 2/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ G6PD P11413 1/20 0.42
▸ AKR1B1 P15121 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42

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
SCHEMBL7425466 1.00 GRIN1 (0.58) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL3202646 1.00 GRIN1 (0.58) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL13420386 1.00 GRIN1 (0.58) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL3113851 0.90 GRIN1 (0.48) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL3120141 0.87 GRIN1 (0.46) GRIN1GRIN2BMAPK1ALDH1A1TP53
SCHEMBL25323084 0.85 MAPK1 (0.65) MAPK1ALDH1A1TP53MAPTGPBAR1
SCHEMBL1592435 0.85 MAPK1 (0.65) MAPK1ALDH1A1TP53MAPTGPBAR1
SCHEMBL13420481 0.85 MAPK1 (0.65) MAPK1ALDH1A1TP53MAPTGPBAR1
SCHEMBL13420800 0.85 MAPK1 (0.65) MAPK1ALDH1A1TP53MAPTGPBAR1
SCHEMBL3199417 0.85 MAPK1 (0.65) MAPK1ALDH1A1TP53MAPTGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056487-A1 MODULATORS OF AMYLOID-BETA PRODUCTION SATORI PHARMACEUTICALS, INC. (US) 2010-03-04 — — 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-20100056487-A1 MODULATORS OF AMYLOID-BETA PRODUCTION APP, BACE1, BACE2 GRIN1 1118/4885GRIN2B 683/4885MAPK1 4259/4885

“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.

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