SCHEMBL3146512

SCHEMBL3146512

CCCCCc1ccc(OC(=O)C=Cc2ccc(OCCOC(=O)c3cc(N)cc(N)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ABCG2 Q9UNQ0 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42

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
SCHEMBL3146507 1.00 THRB (0.46) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3134584 0.99 THRB (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3134573 0.99 THRB (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3146742 0.97 THRB (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3146732 0.97 THRB (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3133474 0.97 ABCG2 (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3133479 0.97 ABCG2 (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3141405 0.96 THRB (0.44) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3146926 0.96 NPC1 (0.45) THRBABCG2HDAC3HDAC4HDAC1
SCHEMBL3137000 0.96 NPC1 (0.45) THRBABCG2HDAC3HDAC4HDAC1

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
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP disclosed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US disclosed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US disclosed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP disclosed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 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-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 THRB 2395/4885ABCG2 4019/4885HDAC3 3353/4885

“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.