SCHEMBL3137971

SCHEMBL3137971

CCCCc1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CASP1 P29466 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SLCO1B3 Q9NPD5 1/20 0.54
▸ SLCO1B1 Q9Y6L6 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ LTA4H P09960 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46

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
SCHEMBL9258412 0.91 MEN1 (0.53) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL8062394 0.91 LMNA (0.55) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL16933991 0.90 LMNA (0.62) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL5834618 0.89 MEN1 (0.55) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL9258093 0.89 MEN1 (0.55) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL8078024 0.89 LMNA (0.58) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL9621406 0.89 LMNA (0.53) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL2415919 0.89 ALDH1A1 (0.54) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL13303281 0.88 LTA4H (0.57) CYP3A4LTA4HCYP1A2CYP2D6TSHR
SCHEMBL8076372 0.87 MEN1 (0.60) LMNASMN1; SMN2MEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671089-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2010-03-02 — — US disclosed
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof XENOPORT, INC. (US) 2010-01-07 — — US disclosed
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-05-01 — — US disclosed
US-7323585-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-01-29 — — US disclosed
US-7101912-B2 Carbidopa prodrugs and derivatives, and compositions and uses thereof XENOPORT, INC. (US) 2006-09-05 — — US disclosed
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof ARBOR PHARMACEUTICALS, LLC 2006-01-26 — — US disclosed
WO-2005121070-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2005-12-22 — — WO disclosed
US-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof XIANG JIA-NING (US) 2004-08-26 — — US disclosed
WO-2004052841-A1 CARBIDOPA PRODRUGS AND USES THEREOF XENOPORT, INC. (US) 2004-06-24 — — 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 (4 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-20040167216-A1 Carbidopa prodrugs and derivatives, and compositions and uses thereof PDE3A, ADORA2A, CDA LMNA 4006/4885SMN1; SMN2 3457/4885MEN1 2470/4885
US-20060020028-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885SMN1; SMN2 229/4885MEN1 1821/4885
US-20080103200-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885SMN1; SMN2 229/4885MEN1 1821/4885
US-20100004332-A1 Levodopa Prodrugs, and Compositions and Uses Thereof COMT, DDT, DDC LMNA 2387/4885SMN1; SMN2 229/4885MEN1 1821/4885

“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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