SCHEMBL866392

SCHEMBL866392

CC(C)(C)[Si](O[C@@H]1CC=C[C@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.32
SMYD2 Q9NRG4 1/20 0.31
CYP3A4 P08684 3/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSK P43235 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL23455985 0.79 BCHE (0.39) TAAR1BCHEACHEPSEN1PSEN2
SCHEMBL866957 0.76 LMNA (0.36) TAAR1BCHEACHETSHRLMNA
SCHEMBL22241751 0.76 BCHE (0.51) TAAR1BCHEACHEPSEN1PSEN2
SCHEMBL19730177 0.75 TAAR1 (0.36) TAAR1BCHEACHETSHRPOLB
SCHEMBL30959570 0.74 SLC6A2 (0.39) TAAR1BCHEACHELMNASMYD2
SCHEMBL30959400 0.74 CYP3A4 (0.41) TAAR1TSHRLMNASMYD2CYP3A4
SCHEMBL866620 0.72 CTSL (0.36) TAAR1BCHEACHECTSLCTSB
SCHEMBL867717 0.72 CTSL (0.36) TAAR1BCHEACHECTSLCTSB
SCHEMBL867716 0.72 CTSL (0.36) TAAR1BCHEACHECTSLCTSB
SCHEMBL30159081 0.72 TAAR1 (0.37) TAAR1BCHEACHETSHRHTT

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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 US disclosed
US-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES WANG ZHONG (US) 2012-03-29 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-20120077814-A1 SULFONAMIDE, SULFAMATE, AND SULFAMOTHIOATE DERIVATIVES NEDD8, NAE1, UBA3 TAAR1 3888/4885BCHE 1111/4885ACHE 1469/4885

“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.