SCHEMBL22012213

SCHEMBL22012213

CC(C)(O)c1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.52
CYP19A1 P11511 2/20 0.46
ACHE P22303 2/20 0.44
CHRM3 P20309 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAOB P27338 1/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PTPN1 P18031 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL24824473 0.86 KCNN4 (0.52) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL304190 0.83 ESR1 (0.50) ACHEHDAC2ALDH1A1GAAESR1
SCHEMBL7230332 0.83 KCNN4 (0.48) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL27918654 0.83 KCNN4 (0.48) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL179310 0.81 KCNN4 (0.50) KCNN4CYP19A1ACHEHDAC3HDAC1
SCHEMBL11597249 0.81 KCNN4 (0.55) KCNN4CYP19A1ACHECHRM3HDAC1
SCHEMBL7929172 0.81 KCNN4 (0.50) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL21229775 0.79 KCNN4 (0.55) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL30472160 0.79 KCNN4 (0.46) KCNN4CYP19A1ACHECHRM3HDAC3
SCHEMBL25134589 0.79 KCNN4 (0.48) KCNN4CYP19A1ACHEHDAC3HDAC1

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-20210359219-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-11-18 US disclosed
WO-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 CN 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-20210359219-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CYP2E1 KCNN4 809/4885CYP19A1 37/4885ACHE 299/4885

“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.