SCHEMBL12075463

SCHEMBL12075463

CCc1cccc(OCC2(CN)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SOD1 P00441 1/20 0.43
▸ MAPK1 P28482 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GRM2 Q14416 1/20 0.38
▸ MAOB P27338 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL12075798 0.94 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL17277363 0.81 ACHE (0.43) KDM4EALDH1A1L3MBTL1TDP1POLB
SCHEMBL14771965 0.81 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL20082425 0.78 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2TSHRGRM2
SCHEMBL12062257 0.78 SOD1 (0.44) KDM4ESOD1L3MBTL1POLBGRM2
SCHEMBL12453902 0.77 TAAR1 (0.47) ALDH1A1TDP1TAAR1MAOB
SCHEMBL17277364 0.76 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2L3MBTL1TDP1
SCHEMBL13185240 0.75 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1
SCHEMBL3145987 0.74 CYP11B1 (0.40) MAPK1
SCHEMBL13463064 0.74 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2SOD1MAPK1

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 KDM4E 4344/4885ALDH1A1 1117/4885SMN1; SMN2 3979/4885

“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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