SCHEMBL5460465

SCHEMBL5460465

Cc1cc(C(=O)CBr)ccc1O[Si](C(C)C)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.44
PTPN1 P18031 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TAS1R3 Q7RTX0 6/20 0.39
TAS1R1 Q7RTX1 6/20 0.39
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
GNG2 P59768 1/20 0.35
GNB1 P62873 1/20 0.35

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
SCHEMBL6812398 0.87 MEN1 (0.43) THRATHRBTAS1R3TAS1R1
SCHEMBL6811142 0.84 THRA (0.49) THRATHRBTAS1R3TAS1R1CTNNB1
SCHEMBL5461932 0.82 ALDH1A1 (0.41) TAS1R3TAS1R1
SCHEMBL5595633 0.81 ALDH1A1 (0.40) THRATHRBTAS1R3TAS1R1
SCHEMBL6808442 0.80 TAS1R3 (0.41) THRATHRBTAS1R3TAS1R1
SCHEMBL2462140 0.79 GSK3B (0.56) GSK3BPTPN1TAS1R3TAS1R1CTNNB1
SCHEMBL2099644 0.77 GSK3B (0.59) GSK3BPTPN1
SCHEMBL9589309 0.77 PDE4D (0.47) GSK3BPTPN1
SCHEMBL6808409 0.76 MEN1 (0.41)
SCHEMBL5466966 0.75 HPGDS (0.31) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 WO 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C GSK3B 3218/4885PTPN1 1602/4885THRA 925/4885

“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.