SCHEMBL1241389

SCHEMBL1241389

CC(C)(C)OC(=O)N(CCCO)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.40
SSTR4 P31391 1/20 0.39
AAK1 Q2M2I8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
MLYCD O95822 1/20 0.36
POLB P06746 1/20 0.35
ESRRB O95718 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRA P11474 1/20 0.35
ESRRG P62508 1/20 0.35
F2 P00734 3/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HSP90AA1 P07900 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3650899 0.86 MT-CO2 (0.44) SSTR4MLYCDF2MEN1KMT2A
SCHEMBL2551511 0.85 MLYCD (0.38) SSTR4AAK1SMN1; SMN2NPC1RECQL
SCHEMBL5805153 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AF2MEN1
SCHEMBL2552511 0.82 TSHR (0.41) AAK1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL3649754 0.82 MT-CO2 (0.43) MLYCDF2MEN1KMT2AGAA
SCHEMBL2798824 0.81 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AMLYCDF2
SCHEMBL2929114 0.79 MLYCD (0.38) AAK1SMN1; SMN2NPC1RECQLRAB9A
SCHEMBL1242387 0.78 NPC1 (0.40) SSTR4AAK1SMN1; SMN2NPC1RECQL
SCHEMBL3959237 0.78 RORC (0.37) SSTR4AAK1SMN1; SMN2NPC1RECQL
SCHEMBL3503827 0.78 MLYCD (0.43) AAK1SMN1; SMN2NPC1RECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 LSS 85/4885SSTR4 3030/4885AAK1 3215/4885

“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.