SCHEMBL12539261

SCHEMBL12539261

CCCCCCc1nc(-c2c(CCCCCC)nc(-c3c(CCCCCC)nc(C)nc3CCCCCC)nc2CCCCCC)nc(CCCCCC)c1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GCGR P47871 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
TYR P14679 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL12539081 0.89 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL13531374 0.89 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL15440689 0.80 NOS2 (0.35) ALDH1A1PKMHPGDKCNH2MEN1
SCHEMBL1187671 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1187550 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1189782 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1187257 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1187685 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1187133 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2
SCHEMBL1187104 0.77 ALDH1A1 (0.42) DHFRALDH1A1PKMHPGDKCNH2

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-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-02 US disclosed
EP-2308926-A1 COMPOSITION COMPRISING PHOSPHORESCENCE EMITTING COMPOUND, AND LIGHT EMITTING ELEMENT USING THE COMPOSITION Sumitomo Chemical Company, Limited (JP) 2011-04-13 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-20110127467-A1 COMPOSITION COMPRISING PHOSPHORESCENT COMPOUND AND LIGHT EMITTING DEVICE USING THE COMPOSITION CCNE2, CDCA2, CCNA2 DHFR 2569/4885ALDH1A1 4320/4885PKM 3722/4885

“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.