SCHEMBL12498351

SCHEMBL12498351

C[C@@]1(C(=O)O)[C@@H](c2ccccc2)[C@@H]1c1ccc(N2CC3(COC3)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 4/20 0.61
▸ CYP3A4 P08684 8/20 0.41
▸ USP2 O75604 7/20 0.41
▸ CYP2C19 P33261 7/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ CYP1A2 P05177 5/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ HIF1A Q16665 4/20 0.38
▸ MMP14 P50281 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL15768585 1.00 HDAC4 (0.61) HDAC4CYP3A4USP2CYP2C19HSD17B10
SCHEMBL15768615 0.86 HDAC4 (0.60) HDAC4CYP3A4USP2CYP2C19HSD17B10
SCHEMBL12499403 0.86 HDAC4 (0.60) HDAC4CYP3A4USP2CYP2C19HSD17B10
SCHEMBL12499493 0.78 HDAC4 (0.57) HDAC4ALDH1A1SMN1; SMN2MMP14ADAMTS5
SCHEMBL15768686 0.78 HDAC4 (0.57) HDAC4ALDH1A1SMN1; SMN2MMP14ADAMTS5
SCHEMBL15769047 0.77 HDAC4 (0.61) HDAC4CYP3A4USP2CYP2C19HSD17B10
SCHEMBL12499048 0.77 HDAC4 (0.61) HDAC4CYP3A4USP2CYP2C19HSD17B10
SCHEMBL12498480 0.76 HDAC4 (1.00) HDAC4
SCHEMBL12498482 0.76 HDAC4 (1.00) HDAC4
SCHEMBL12498931 0.75 HDAC4 (0.60) HDAC4ALDH1A1MMP14ADAMTS5MAPT

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-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
EP-2667709-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2013-12-04 — — EP disclosed
WO-2012103008-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2012-08-02 — — 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885CYP3A4 3389/4885USP2 1166/4885

“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