SCHEMBL15769142

SCHEMBL15769142

CC(C)N1CCN(c2ccc(C3C(c4ccccc4)C3(C)C(=O)O)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 4/20 0.60
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.46
▸ KCNH2 Q12809 2/20 0.46
▸ MMP14 P50281 1/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ESRRG P62508 6/20 0.40
▸ ESRRB O95718 3/20 0.40
▸ F12 P00748 1/20 0.40

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
SCHEMBL12498931 1.00 HDAC4 (0.60) HDAC4KDM4EALDH1A1MAPTPKM
SCHEMBL12499493 0.85 HDAC4 (0.57) HDAC4ALDH1A1MMP14ADAMTS5ESR1
SCHEMBL15768686 0.85 HDAC4 (0.57) HDAC4ALDH1A1MMP14ADAMTS5ESR1
SCHEMBL12499403 0.80 HDAC4 (0.60) HDAC4ALDH1A1MMP14ADAMTS5
SCHEMBL15768615 0.80 HDAC4 (0.60) HDAC4ALDH1A1MMP14ADAMTS5
SCHEMBL15769047 0.79 HDAC4 (0.61) HDAC4ALDH1A1MMP14ADAMTS5
SCHEMBL12499048 0.79 HDAC4 (0.61) HDAC4ALDH1A1MMP14ADAMTS5
SCHEMBL15768585 0.75 HDAC4 (0.61) HDAC4ALDH1A1MAPTMMP14ADAMTS5
SCHEMBL12498351 0.75 HDAC4 (0.61) HDAC4ALDH1A1MAPTMMP14ADAMTS5
SCHEMBL15768565 0.75 HDAC4 (1.00) HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 — — US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 — — 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885KDM4E 166/4885ALDH1A1 559/4885

“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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