SCHEMBL5927367

SCHEMBL5927367

CCCCCCCOc1ccc(Br)cc1C(=O)NC(CC(=O)O)c1ccc(-c2ccccc2Oc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 4/20 0.42
▸ PTPN11 Q06124 4/20 0.42
▸ GPR88 Q9GZN0 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KCNQ3 O43525 1/20 0.38
▸ KCNQ2 O43526 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ CYSLTR2 Q9NS75 1/20 0.36
▸ CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL3999747 0.94 KCNQ3 (0.44) PTPN11GPR88ALDH1A1LMNAMAPK1
SCHEMBL3995217 0.93 PTPN11 (0.46) PTPN11GPR88ALDH1A1LMNAMAPK1
SCHEMBL3991621 0.92 PTPN11 (0.44) CYP26A1PTPN11GPR88ALDH1A1LMNA
SCHEMBL5926898 0.92 FFAR4 (0.46) PTPN11GPR88ALDH1A1LMNAMAPK1
SCHEMBL3995234 0.91 MMP12 (0.48) PTPN11GPR88ALDH1A1LMNAMAPK1
SCHEMBL5927443 0.88 LMNA (0.45) ALDH1A1LMNAMAPK1KCNQ3KCNQ2
SCHEMBL3996604 0.87 LRRK2 (0.45) CYP26A1ALDH1A1LMNAMAPK1KCNQ3
SCHEMBL5926667 0.87 PTPN11 (0.45) PTPN11GPR88ALDH1A1LMNAMAPK1
SCHEMBL3998698 0.87 KCNQ3 (0.42) PTPN11KCNQ3KCNQ2PTGDR2
SCHEMBL4829602 0.87 ITGA4 (0.44) PTPN11ALDH1A1LMNAPTPN1

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 CYP26A1 526/4885PTPN11 2131/4885GPR88 2355/4885

“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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