SCHEMBL11974285

SCHEMBL11974285

CC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11974286 1.00 TSHR (0.42) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL406707 1.00 TSHR (0.42) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974278 1.00 TSHR (0.42) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974282 1.00 TSHR (0.42) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974287 0.97 TSHR (0.44) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL14199137 0.97 TSHR (0.44) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974290 0.97 TSHR (0.44) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974288 0.97 TSHR (0.44) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL11974284 0.97 TSHR (0.44) TSHRTDP1LMNAL3MBTL1TRPA1
SCHEMBL14944901 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-09-21 US disclosed
US-9540317-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-01-10 US disclosed
US-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-10-29 US disclosed
US-8716344-B2 Class- and isoform-specific HDAC inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-06 US disclosed
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUE, INC. (US) 2012-08-16 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 (3 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-20150307444-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 TSHR 3987/4885TDP1 2992/4885LMNA 1808/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 TSHR 3987/4885TDP1 2992/4885LMNA 1808/4885
US-20170267630-A1 CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 TSHR 3987/4885TDP1 2992/4885LMNA 1808/4885

“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.