SCHEMBL24449358

SCHEMBL24449358

COc1ccc(C(C)(C)COc2cc(C(C)(C)C)c(F)cc2OC)cc1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.42
▸ CTSL P07711 2/20 0.42
▸ SMPD1 P17405 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL24448852 0.87 CTSV (0.51) CTSVCTSLSMPD1HDAC1HDAC8
SCHEMBL24449361 0.82 CTSV (0.41) CTSVCTSLALDH1A1CHRNA7FFAR1
SCHEMBL12622630 0.78 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6ABCB1
SCHEMBL4963932 0.76 SMPD1 (0.49) SMPD1HDAC1HDAC8HDAC6ABCB1
SCHEMBL8253237 0.76 NPC1 (0.55) CTSVCTSLABCB1ABCG2KDM4E
SCHEMBL1332171 0.74 HTR2C (0.59) SMPD1HDAC1HDAC8HDAC6ABCB1
SCHEMBL14112764 0.74 ALOX5AP (0.49) ABCB1ABCG2KDM4ECYP1A2CYP3A4
SCHEMBL25946416 0.73 MRGPRX4 (0.51) MAPK1SMN1; SMN2HTTFFAR1FFAR4
SCHEMBL17821822 0.73 MEN1 (0.52) CTSVCTSLSMPD1HDAC1HDAC8
SCHEMBL4960983 0.73 SMPD1 (0.49) SMPD1HDAC1HDAC8HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. 2022-05-26 — — US 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-20220162197-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A CTSV 2536/4885CTSL 3658/4885SMPD1 1015/4885

“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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