SCHEMBL15769080

SCHEMBL15769080

Cc1ccc(C2C(c3ccccc3)C2(C)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.49
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ SLC9A1 P19634 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37

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
SCHEMBL12498406 1.00 HDAC4 (0.49) HDAC4CES2CES1SLC9A1MEN1
SCHEMBL15547315 0.84 HDAC4 (0.47) HDAC4SLC9A1MEN1KMT2ANPC1
SCHEMBL16912922 0.84 HDAC4 (0.47) HDAC4SLC9A1MEN1KMT2ANPC1
SCHEMBL12498065 0.80 HDAC4 (0.77) HDAC4
SCHEMBL12498073 0.77 HDAC4 (0.59) HDAC4
SCHEMBL15769110 0.77 HDAC4 (0.59) HDAC4
SCHEMBL15557413 0.77 SLC9A1 (0.44) HDAC4SLC9A1MEN1KMT2AALDH1A1
SCHEMBL15768615 0.76 HDAC4 (0.60) HDAC4SLC9A1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12498195 0.76 HDAC4 (0.53) HDAC4SLC9A1MEN1KMT2AHPGD
SCHEMBL15768839 0.76 HDAC4 (0.53) HDAC4SLC9A1MEN1KMT2AHPGD

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 10/4885CES2 471/4885CES1 369/4885

“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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