SCHEMBL12062257

SCHEMBL12062257

CC(C)(C)c1cccc(OCC2(CN)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOD1 P00441 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ GRM2 Q14416 1/20 0.39
▸ FFAR1 O14842 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35

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
SCHEMBL12062270 0.94 SOD1 (0.42) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL2742871 0.85 SOD1 (0.44) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL20216127 0.82 SOD1 (0.40) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL13165306 0.81 SOD1 (0.43) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL17277363 0.80 ACHE (0.43) L3MBTL1POLBMAOBKDM4E
SCHEMBL12075463 0.78 KDM4E (0.47) SOD1L3MBTL1POLBGRM2CYP3A4
SCHEMBL20082425 0.77 KDM4E (0.47) LMNAGRM2PPARGHTR1AHTR7
SCHEMBL12453902 0.76 TAAR1 (0.47) MAOBAOC3
SCHEMBL17339764 0.75 SOD1 (0.43) SOD1L3MBTL1LMNAPOLBHTT
SCHEMBL13165331 0.75 SOD1 (0.43) SOD1L3MBTL1LMNAPOLBHTT

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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 — — US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 — — 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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT SOD1 25/4885L3MBTL1 606/4885LMNA 2222/4885

“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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