SCHEMBL11974268

SCHEMBL11974268

COc1c(O)cc(C)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
TRPA1 O75762 1/20 0.48
CHRM1 P11229 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APEX1 P27695 1/20 0.42
MPI P34949 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 2/20 0.40
PTPN1 P18031 2/20 0.40
SELL P14151 1/20 0.39
SELP P16109 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
SCHEMBL11775737 0.85 ACHE (0.48) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL68928 0.80 TDP1 (0.67) TRPA1TDP1MAPTPOLBGAA
SCHEMBL17658856 0.76 ACHE (0.40) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL10640152 0.75 LMNA (0.41) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28077399 0.74 TPMT (0.62) LMNATDP1MAPTPOLBGAA
SCHEMBL658125 0.74 PTPN1 (0.53) LMNATRPA1TDP1MAPTPOLB
SCHEMBL31090180 0.74 PTPN1 (0.53) LMNATRPA1TDP1MAPTPOLB
SCHEMBL8084791 0.74 TDP1 (0.52) LMNATDP1MAPTPOLBGAA
SCHEMBL4623974 0.74 LMNA (0.56) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL18357201 0.74 ACHE (0.59) LMNATRPA1CHRM1SLC6A2ADRA1A

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-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 (2 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 LMNA 1808/4885TRPA1 3003/4885CHRM1 4771/4885
US-20120208889-A1 CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF HDAC1, HDAC5, HDAC6 LMNA 1808/4885TRPA1 3003/4885CHRM1 4771/4885

“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.