SCHEMBL3484412

SCHEMBL3484412

COC(=O)c1ccc(CC(/C=C/c2ccccc2)CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
SNCA P37840 2/20 0.41
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP8 P22894 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MGLL Q99685 1/20 0.38
CYP4A11 Q02928 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL3484414 1.00 PRSS1 (0.44) PRSS1CTSGCTRB1CMA1SNCA
SCHEMBL3484410 1.00 PRSS1 (0.44) PRSS1CTSGCTRB1CMA1SNCA
SCHEMBL2292828 0.87 PRSS1 (0.40) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL2292822 0.87 PRSS1 (0.40) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL2295663 0.87 PRSS1 (0.40) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL2295655 0.87 PRSS1 (0.40) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL3484723 0.86 TP53 (0.41) PRSS1CTSGCTRB1CMA1RAB9A
SCHEMBL3484727 0.86 TP53 (0.41) PRSS1CTSGCTRB1CMA1RAB9A
SCHEMBL3484092 0.84 KMT2A (0.43) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL3484088 0.84 KMT2A (0.43) PRSS1CTSGCTRB1CMA1MAPT

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-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

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 PRSS1 3573/4885CTSG 2480/4885CTRB1 1804/4885

“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.