SCHEMBL7123539

SCHEMBL7123539

CC(C)(C(=O)O)c1cc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 5/20 0.58
MAOB P27338 1/20 0.48
PTGER1 P34995 1/20 0.47
SGMS2 Q8NHU3 1/20 0.45
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
PPIA P62937 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
XDH P47989 1/20 0.44
CYP19A1 P11511 1/20 0.42
SLC6A9 P48067 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
Hydrochloric Acid SCHEMBL7528063 0.99 MRGPRX4 (0.57) MRGPRX4MAOBPTGER1SGMS2RXRA
SCHEMBL7116783 0.93 MRGPRX4 (0.56) MRGPRX4MAOBPTGER1SGMS2RXRA
SCHEMBL5372934 0.85 MRGPRX4 (0.55) MRGPRX4MAOBPTGER1SGMS2RXRA
SCHEMBL7115963 0.80 MRGPRX4 (0.50) MRGPRX4MAOBPTGER1SGMS2RXRA
SCHEMBL6529321 0.79 MRGPRX4 (0.49) MRGPRX4MAOBSGMS2RXRARXRB
SCHEMBL1647357 0.78 FOLH1 (0.62) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL6678324 0.77 MEN1 (0.59) PPIAPTGDR2CYP19A1
SCHEMBL1646681 0.76 MRGPRX4 (0.60) MRGPRX4MAOBPTGER1SGMS2PPIA
SCHEMBL1978691 0.76 MAOB (0.55) MRGPRX4MAOBPTGER1PPIAPTGDR2
SCHEMBL214965 0.76 MAOB (0.58) MRGPRX4MAOBPTGER1PPIAPTGDR2

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
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MRGPRX4 3149/4885MAOB 1337/4885PTGER1 217/4885

“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.