SCHEMBL3484444

SCHEMBL3484444

COc1ccccc1C=CC(CCc1ccc(C#N)cc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
FFAR1 O14842 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
BCHE P06276 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NFE2L2 Q16236 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
PLA2G4A P47712 1/20 0.38
LTB4R Q15722 1/20 0.38
MAOB P27338 2/20 0.37
SNCA P37840 1/20 0.37

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
SCHEMBL3484440 1.00 RXRA (0.41) RXRAPRSS1CTSGCTRB1CMA1
SCHEMBL3484097 0.92 RXRA (0.47) RXRALMNANPC1BCHEMAPT
SCHEMBL3484093 0.92 RXRA (0.47) RXRALMNANPC1BCHEMAPT
SCHEMBL3484723 0.91 TP53 (0.41) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL3484727 0.91 TP53 (0.41) PRSS1CTSGCTRB1CMA1LMNA
SCHEMBL8244612 0.88 RXRA (0.44) RXRALMNANPC1BCHEMAPT
SCHEMBL4515115 0.86 TAS2R14 (0.40) PRSS1CTSGCTRB1CMA1FFAR1
SCHEMBL4515111 0.86 TAS2R14 (0.40) PRSS1CTSGCTRB1CMA1FFAR1
SCHEMBL2292394 0.85 RXRA (0.45) RXRAPRSS1CTSGCTRB1CMA1
SCHEMBL2293675 0.85 RXRA (0.45) RXRAPRSS1CTSGCTRB1CMA1

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-1940769-B1 DICARBOXYLIC ACID DERIVATIVES AND THEIR USE BAYER IP GMBH (DE) 2016-08-10 EP 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 RXRA 501/4885PRSS1 3573/4885CTSG 2480/4885

“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.