SCHEMBL4992998

SCHEMBL4992998

CON(CC(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
DGAT1 O75907 1/20 0.33
CA14 Q9ULX7 1/20 0.32
EYA2 O00167 1/20 0.30
APP P05067 1/20 0.30
ACE P12821 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL28546389 0.84 HDAC6 (0.35) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL28246198 0.81 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1CA14
SCHEMBL24186853 0.79 HDAC6 (0.37) HDAC6HDAC1HDAC2L3MBTL1DGAT1
SCHEMBL4989700 0.79 TDP1 (0.35) EYA2APPACETDP1
SCHEMBL7719558 0.77 HDAC6 (0.38) HDAC6HDAC1HDAC2L3MBTL1DGAT1
SCHEMBL78691 0.77 CA14 (0.41) HDAC6HDAC1HDAC2L3MBTL1DGAT1
SCHEMBL13017451 0.76 CA14 (0.42) HDAC6HDAC1HDAC2L3MBTL1DGAT1
SCHEMBL8768722 0.75 HDAC6 (0.39) HDAC6HDAC1HDAC2L3MBTL1DGAT1
SCHEMBL336495 0.75 HDAC6 (0.37) HDAC6HDAC1HDAC2DGAT1CA14
SCHEMBL30792573 0.74 CA14 (0.37) HDAC6HDAC1HDAC2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-10 US disclosed
US-8232254-B2 Colchicine glycosylated to include a sugar moiety on a methoxyamino-appended colchicine; cytolysis equivalent to paclitaxel and doxorubicin; stabilizers of tubulin formation; anticarcinogenic -arthritic agents; Mediterranean fever, amyloidosis, scleroderma, irritable bowel syndrome or gout WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-31 US disclosed
US-20080171787-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-17 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-20080171787-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE TUBB6, TUBB, TUBA1C HDAC6 179/4885HDAC1 1804/4885HDAC2 3338/4885
US-20130012466-A1 COLCHICINE NEOGLYCOSIDES AND METHODS FOR THEIR SYNTHESIS AND USE TUBB6, TUBB, TUBA1C HDAC6 179/4885HDAC1 1804/4885HDAC2 3338/4885

“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.