SCHEMBL5555730

SCHEMBL5555730

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cc(C#CCO)cc(C#CCO)c1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CASR P41180 1/20 0.30

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
SCHEMBL4841791 0.78 HTR2C (0.40) ALDH1A1KDM4ELMNA
SCHEMBL2745021 0.73 LTA4H (0.38) CASR
SCHEMBL8796135 0.73 TSHR (0.34) CASR
SCHEMBL7985829 0.73 ADRB2 (0.34)
SCHEMBL8149465 0.70 ADRB1 (0.41) KDM4ELMNA
SCHEMBL1621418 0.69 FGFR1 (0.32)
SCHEMBL5207671 0.68 HTR2A (0.36) ALDH1A1
SCHEMBL9347230 0.68
SCHEMBL8796366 0.68 IDO1 (0.42) ALDH1A1
SCHEMBL7791563 0.68 CA2 (0.38)

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-1363874-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2007-06-06 EP disclosed
US-7101911-B2 Tryptase inhibitors ALTANA PHARMA AG (DE) 2006-09-05 US disclosed
US-20040087791-A1 Bis(substituted propynyl)-substituted benzenes, pyridines, pyrimidines, pyrazines, pyridines, furans and pyrroles; e.g., 3,5-bis-(3-(4-aminomethylbenzylaminocarbonyloxy)prop-1-ynyl)--1 -hydroxymethylbenzene ALTANA PHARMA AG (DE) 2004-05-06 US disclosed
EP-1363874-A2 TRYPTASE INHIBITORS ALTANA Pharma AG (DE) 2003-11-26 EP disclosed
WO-2002066420-A2 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2002-08-29 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-20040087791-A1 Bis(substituted propynyl)-substituted benzenes, pyridines, pyrimidines, pyrazines, pyridines, furans and pyrroles; e.g., 3,5-bis-(3-(4-aminomethylbenzylaminocarbonyloxy)prop-1-ynyl)--1 -hydroxymethylbenzene TPSB2, TPSAB1, TPSG1 ALDH1A1 582/4885KDM4E 550/4885LMNA 1409/4885

“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.