SCHEMBL5926489

SCHEMBL5926489

O=C(O)CC(NC(=O)c1cc(Br)ccc1OCCCCCCc1ccccc1)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ PDE4A P27815 3/20 0.39
▸ PDE4B Q07343 3/20 0.39
▸ PDE4C Q08493 3/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ EGLN2 Q96KS0 3/20 0.39
▸ EGLN1 Q9GZT9 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5927222 0.99 CTSA (0.44) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL5926932 0.93 MEN1 (0.42) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL5927501 0.92 FFAR4 (0.41) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL5926503 0.92 FFAR4 (0.41) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL5926431 0.92 MEN1 (0.42) ALDH1A1LMNAMAPK1KMT2AMEN1
SCHEMBL5926567 0.91 FFAR4 (0.42) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL3995848 0.88 FFAR4 (0.43) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL5926480 0.85 ITGB3 (0.49) —
SCHEMBL5927560 0.85 LRRK2 (0.49) CTSAALDH1A1LMNAMAPK1KMT2A
SCHEMBL5927218 0.84 ITGB3 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CTSA 426/4885ALDH1A1 2142/4885LMNA 178/4885

“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.

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