SCHEMBL17065129

SCHEMBL17065129

CCCCC(C=Cc1ccccc1)=C(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
EGFR P00533 1/20 0.50
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45

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
SCHEMBL987787 0.93 HDAC3 (0.49) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL3430615 0.89 HDAC3 (0.44) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL183140 0.88 HDAC3 (0.43) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL3430406 0.88 HDAC3 (0.45) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL10705055 0.88 HDAC3 (0.45) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL736218 0.86 HDAC3 (0.51) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL393959 0.85 HDAC3 (0.50) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL7619289 0.84 TUBB4A (0.49) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL3806310 0.84 TDP1 (0.52) HDAC3EGFRNPC1L3MBTL1TDP1
SCHEMBL9067200 0.84 HDAC3 (0.44) HDAC3EGFRNPC1L3MBTL1TDP1

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-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-19 US disclosed
EP-3114150-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2017-01-11 EP disclosed
WO-2015134591-A1 CONTROLLED RADICAL POLYMERIZATION BASF SE (DE) 2015-09-11 WO disclosed
US-8980824-B2 Tubulysin compounds, methods of making and use BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-17 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 (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-20170015762-A1 CONTROLLED RADICAL POLYMERIZATION GLO1, TET1, RIOX2 HDAC3 4183/4885EGFR 3968/4885NPC1 4825/4885

“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.