SCHEMBL3485115

SCHEMBL3485115

COC(=O)c1ccc(CCC(/C=C/c2ccccc2OCCCCBr)Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 4/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
MAPT P10636 3/20 0.36

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
SCHEMBL3485120 1.00 TP53 (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484947 0.93 TP53 (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484457 0.93 KMT2A (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484944 0.93 TP53 (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484461 0.93 KMT2A (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3485093 0.92 HPGD (0.41) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484582 0.92 HPGD (0.41) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484621 0.92 KMT2A (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3485099 0.92 KMT2A (0.42) TP53HPGDKMT2AMEN1TDP1
SCHEMBL3484620 0.92 KMT2A (0.42) TP53HPGDKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP disclosed
US-8609727-B2 Dicarboxylic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-17 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
US-20100029772-A1 Dicarboxylic Acid Derivatives and their Use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-04 US disclosed
WO-2007045433-A1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 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-20100029772-A1 Dicarboxylic Acid Derivatives and their Use PC, SLC25A1, GOT2 TP53 2351/4885HPGD 281/4885KMT2A 2396/4885

“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.