SCHEMBL12075802

SCHEMBL12075802

CCc1cccc(OC[C@H](CN)OCC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SOD1 P00441 1/20 0.38
MAOB P27338 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 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
SCHEMBL12075484 0.85 MAPK1 (0.46) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL17277440 0.84 ADRB2 (0.42) L3MBTL1KDM4E
SCHEMBL12062283 0.82 MAOB (0.40) L3MBTL1KDM4ESOD1MAOB
SCHEMBL20082428 0.82 MAOB (0.33) KDM4EALDH1A1MAOB
SCHEMBL12075674 0.81 KDM4E (0.45) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL12075673 0.81 KDM4E (0.45) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL8186760 0.79 ALDH1A1 (0.49) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL12075473 0.76 MAPK1 (0.48) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL12075461 0.76 MAPK1 (0.48) MAPK1L3MBTL1TSHRTDP1KDM4E
SCHEMBL17277505 0.75 SCN4A (0.50) MAPK1L3MBTL1TSHRTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPK1 3970/4885L3MBTL1 606/4885TSHR 4385/4885

“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.