SCHEMBL18858490

SCHEMBL18858490

COc1cc(Br)cc2cc(C(C)(C)C)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
MAOB P27338 3/20 0.49
TP53 P04637 2/20 0.48
RXFP1 Q9HBX9 2/20 0.48
F2RL3 Q96RI0 3/20 0.43
MAPT P10636 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ERN1 O75460 1/20 0.36
PRNP P04156 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL13810951 0.77 PIM1 (0.59) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL18325749 0.76 PTGER1 (0.34) PIM1MAOBMAPTPOLB
SCHEMBL11887407 0.75 LMNA (0.54) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL18325795 0.73 PIM1 (0.55) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL830715 0.72 TP53 (0.79) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL28729582 0.71 MAOB (0.53) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL15259401 0.71 PIM1 (0.56) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL7382658 0.71 PIM1 (1.00) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL7380636 0.71 PIM1 (0.78) PIM1MAOBTP53RXFP1F2RL3
SCHEMBL28728668 0.70 CA9 (0.59) PIM1MAOBTP53RXFP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-9708323-B2 Tricyclic compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 US disclosed
US-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2017-05-18 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-20170137425-A1 TRICYCLIC COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA6, CHRNA5 PIM1 4875/4885MAOB 153/4885TP53 1984/4885

“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.