SCHEMBL3996604

SCHEMBL3996604

CC(C)(C)c1ccc(COc2ccc(Br)cc2C(=O)NC(CC(=O)O)c2ccc(-c3ccccc3Oc3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP26A1 O43174 2/20 0.40
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KIFC1 Q9BW19 1/20 0.38
▸ MMP12 P39900 1/20 0.38

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
SCHEMBL5927547 0.93 LRRK2 (0.47) LRRK2ALDH1A1LMNAMAPK1
SCHEMBL3993208 0.92 KIFC1 (0.45) LRRK2ALDH1A1LMNAMAPK1KCNQ3
SCHEMBL5926518 0.92 LRRK2 (0.47) LRRK2ALDH1A1LMNAMAPK1
SCHEMBL5926827 0.92 LRRK2 (0.47) LRRK2ALDH1A1LMNAMAPK1KIFC1
SCHEMBL5927061 0.92 LRRK2 (0.50) LRRK2ALDH1A1LMNAMAPK1
SCHEMBL5927429 0.92 LRRK2 (0.47) LRRK2ALDH1A1LMNAMAPK1CYP26A1
SCHEMBL5927121 0.90 RXRA (0.46) LRRK2ALDH1A1LMNAMAPK1KMT2A
SCHEMBL5926948 0.90 LRRK2 (0.46) LRRK2ALDH1A1LMNAMAPK1CYP26A1
SCHEMBL5926981 0.89 PTGS2 (0.46) LRRK2ALDH1A1LMNAMAPK1KCNQ3
SCHEMBL5926635 0.89 MMP12 (0.49) LRRK2ALDH1A1LMNAMAPK1KIFC1

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
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US claimed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
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
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — 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 (2 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 LRRK2 638/4885ALDH1A1 2142/4885LMNA 178/4885
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 LRRK2 1752/4885ALDH1A1 2886/4885LMNA 575/4885

“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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