SCHEMBL17545797

SCHEMBL17545797

CCc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.42
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 1/20 0.41
S100A4 P26447 1/20 0.41
CSNK2A1 P68400 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.40

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
Glyoxylate SCHEMBL7971642 0.89 FFAR1 (0.47) FFAR1FFAR4PTGDR2FABP3FABP4
SCHEMBL11499872 0.88 FFAR1 (0.41) FFAR1FFAR4KMT2AMEN1HSD11B1
SCHEMBL27417857 0.85 FFAR1 (0.48) FFAR1FFAR4PTGDR2FABP4KMT2A
SCHEMBL15959357 0.85 PTGDR2 (0.49) FFAR1FFAR4PTGDR2FABP3FABP4
SCHEMBL12574736 0.83 FFAR1 (0.44) FFAR1FFAR4KMT2AMEN1CSNK2A1
SCHEMBL14686251 0.82 FFAR1 (0.49) FFAR1FFAR4PTGDR2KMT2AMEN1
SCHEMBL27718714 0.82 FFAR1 (0.46) FFAR1FFAR4PTGDR2KMT2AMEN1
SCHEMBL28238287 0.82 ADORA3 (0.45) FFAR1FFAR4PTGDR2KMT2AMEN1
SCHEMBL18710704 0.81 SLC6A2 (0.43) CYP3A4RAB9A
SCHEMBL1113833 0.81 FFAR1 (0.45) FFAR1FFAR4PTGDR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053247-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-06 US disclosed
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-02-20 US disclosed
US-10336754-B2 Pyrimidinones as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2018-07-05 US disclosed
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-06 US disclosed
US-9540566-B2 Devices for high-frequency technology, liquid-crystalline media and compounds MERCK PATENT GMBH (DE) 2017-01-10 US disclosed
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2016-02-18 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 (6 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-11053247-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F11 FFAR1 3282/4885FFAR4 3241/4885PTGDR2 926/4885
US-20180186795-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 FFAR1 3528/4885FFAR4 3262/4885PTGDR2 877/4885
US-20200055854-A1 PYRIMIDINONES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 FFAR1 3282/4885FFAR4 3241/4885PTGDR2 926/4885
US-20160046866-A1 DEVICES FOR HIGH-FREQUENCY TECHNOLOGY, LIQUID-CRYSTALLINE MEDIA AND COMPOUNDS MCM5, MCM3, MCM7 FFAR1 4598/4885FFAR4 4565/4885PTGDR2 3350/4885
US-20170096429-A1 MACROCYCLES WITH AROMATIC P2' GROUPS AS FACTOR XIA INHIBITORS TFPI, TFPI2, F2 FFAR1 3637/4885FFAR4 2525/4885PTGDR2 1532/4885
US-10336754-B2 Pyrimidinones as factor XIa inhibitors TFPI, TFPI2, F2 FFAR1 3528/4885FFAR4 3262/4885PTGDR2 877/4885

“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.