SCHEMBL26109947

SCHEMBL26109947

COC(=O)CN1CCN(C(=O)OC(C)(C)C)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.41
▸ STS P08842 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL31357125 1.00 HDAC1 (0.48) HDAC1HDAC6ALDH1A1STSEPHX2
SCHEMBL30597150 0.84 HDAC1 (0.65) HDAC1HDAC6NOTUMKDM4EMEN1
SCHEMBL26113493 0.84 HDAC1 (0.65) HDAC1HDAC6NOTUMKDM4EMEN1
SCHEMBL31620916 0.82 HDAC1 (0.62) HDAC1HDAC6MMP1MMP9MAPT
SCHEMBL31620872 0.78 HDAC1 (0.62) HDAC1HDAC6MMP1MMP9MAPT
SCHEMBL26587823 0.75 HDAC1 (0.48) HDAC1HDAC6ALDH1A1LMNAMAPT
SCHEMBL5389996 0.74 NOTUM (0.68) NOTUMLMNAMAPTSMN1; SMN2HSD17B10
SCHEMBL14230676 0.74 DRD2 (0.55) ALDH1A1STSNOTUMMAPTSMN1; SMN2
SCHEMBL31620871 0.73 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL31620933 0.73 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 — — US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 — — EP disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 — — WO disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 — — 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-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 HDAC1 1991/4885HDAC6 606/4885ALDH1A1 2954/4885

“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.

Send feedback