SCHEMBL20766901

SCHEMBL20766901

COC(=O)c1ccc(C#N)c(O[Si](C)(C)C(C)(C)C)c1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ KDM4E B2RXH2 8/20 0.36
▸ MAPT P10636 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ ALDH1A1 P00352 7/20 0.35
▸ HPGD P15428 5/20 0.35
▸ CRHBP P24387 2/20 0.35
▸ CRHR2 Q13324 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL30313215 0.84 GAA (0.41) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL20766671 0.84 GAA (0.41) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL30313214 0.84 GAA (0.41) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL2251382 0.81 ABL1 (0.35) KDM4EMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL31305185 0.76 HPGD (0.40) GAAKDM4EMAPTCYP1A2CYP3A4
SCHEMBL31184912 0.75 DRD2 (0.38) GAAKDM4EMAPTGLAALDH1A1
SCHEMBL2250394 0.74 ALDH1A1 (0.40) GAAKDM4EMAPTALDH1A1HSD17B10
SCHEMBL646938 0.72 ALDH1A1 (0.47) GAAKDM4EMAPTALDH1A1HPGD
SCHEMBL9039077 0.72 CYP4F2 (0.34) —
SCHEMBL12231829 0.72 GAA (0.33) GAAKDM4EMAPTGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 — — US disclosed
WO-2023059609-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 — — WO disclosed
US-10927104-B2 Ether compounds and uses thereof BIOTHERYX, INC. (US) 2021-02-23 — — US disclosed
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. 2020-07-23 — — US disclosed
EP-3672955-A1 ETHER COMPOUNDS AND USES THEREOF Biotheryx Inc. (US) 2020-07-01 — — EP disclosed
CN-111247138-A Ether compound and use thereof 拜欧赛里克斯公司 2020-06-05 — — CN disclosed
WO-2019040274-A1 ETHER COMPOUNDS AND USES THEREOF BIOTHERYX, INC. (US) 2019-02-28 — — 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 (3 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-10927104-B2 Ether compounds and uses thereof EPCAM, ICAM1, SELE GAA 3110/4885KDM4E 1455/4885MAPT 2110/4885
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 GAA 3195/4885KDM4E 1685/4885MAPT 3377/4885
US-20200231582-A1 ETHER COMPOUNDS AND USES THEREOF EPCAM, ICAM1, SELE GAA 3110/4885KDM4E 1455/4885MAPT 2110/4885

“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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