SCHEMBL3418705

SCHEMBL3418705

CCN(C(=O)C(C)=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 9/20 0.50
TSHR P16473 2/20 0.45
HTT P42858 1/20 0.43
SERPINE1 P05121 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL6229257 0.83 MLYCD (0.54) MLYCDTSHRHTTSERPINE1ALDH1A1
SCHEMBL29239542 0.79 ALDH1A1 (0.46) TSHRALDH1A1GLA
SCHEMBL24795106 0.79 MLYCD (0.49) MLYCDTSHRHTTALDH1A1GLA
SCHEMBL3419287 0.77 MEN1 (0.38) MLYCDHTTALDH1A1HDAC6CES2
SCHEMBL3647451 0.72 UTS2R (0.39) SERPINE1ALDH1A1HDAC6HDAC8
SCHEMBL3422810 0.72 KDM2B (0.45) MLYCD
SCHEMBL12638465 0.72 HDAC6 (0.45) MLYCDSERPINE1ALDH1A1HDAC6CES2
SCHEMBL4290193 0.71 HDAC8 (0.49) MLYCDTSHRALDH1A1GLAHDAC8
SCHEMBL6521921 0.71 HTR2C (0.43) MLYCD
SCHEMBL4044376 0.70 CES2 (0.44) MLYCDSERPINE1CES2CES1

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-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US claimed
US-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 US disclosed
WO-2009045083-A2 COMBINATION THERAPY FOR NEUROPROTECTION S.H. PHARMA., LTD (KR) 2009-04-09 WO 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-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN MLYCD 674/4885TSHR 4770/4885HTT 849/4885

“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.