SCHEMBL4541040

SCHEMBL4541040

C=Cc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ APP P05067 1/20 0.50
▸ TP53 P04637 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FFAR1 O14842 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ GRM5 P41594 3/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ ASIC3 Q9UHC3 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36

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
SCHEMBL27771764 0.81 APP (0.52) APPFFAR1CA12CA1CA2
SCHEMBL2430307 0.80 ALDH1A1 (0.59) ALDH1A1TSHRAPPFFAR1CA12
SCHEMBL29622470 0.79 FFAR1 (0.62) ALDH1A1APPTDP1FFAR1CA12
SCHEMBL3735218 0.79 FFAR1 (0.62) ALDH1A1APPTDP1FFAR1CA12
SCHEMBL16954042 0.78 TP53 (0.50) ALDH1A1TSHRTP53TDP1GRIN2B
Styrene SCHEMBL9639895 0.77 ALDH1A1 (0.78) ALDH1A1TSHRTP53TDP1
SCHEMBL30601284 0.77 FBP1 (0.51) ALDH1A1TSHRTP53TDP1GRIN2B
SCHEMBL471486 0.77 FBP1 (0.51) ALDH1A1TSHRTP53TDP1GRIN2B
SCHEMBL2321474 0.77 TP53 (0.48) ALDH1A1TSHRTP53TDP1FFAR1
SCHEMBL2497552 0.77 TDP1 (0.48) ALDH1A1TSHRTP53TDP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 — — US disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 — — EP disclosed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 — — EP disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 — — US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 — — 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 ALDH1A1 3633/4885TSHR 644/4885APP 3940/4885

“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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