SCHEMBL6504028

SCHEMBL6504028

CC1(C)CCc2c(sc3cc(C(=O)NCC4CC4)ccc3c2=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HSPB1 P04792 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK11 Q15759 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6510139 0.87 KMT2A (0.41) MAPK14CNR2KDM4EMEN1HPGD
SCHEMBL6656583 0.83 ACHE (0.35) CNR1CNR2MEN1ALDH1A1KMT2A
SCHEMBL5741839 0.82 RXRA (0.37)
SCHEMBL6507664 0.81 KIF11 (0.40)
SCHEMBL5739318 0.78 KIF11 (0.32)
SCHEMBL5739316 0.76 PDE4B (0.33)
SCHEMBL5740408 0.75 SLC34A2 (0.35)
SCHEMBL5740285 0.75 CYP26A1 (0.40) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6529416 0.74 PDK2 (0.36)
SCHEMBL5741506 0.74 RAB9A (0.38) CYP2C9KDM4EMEN1ALDH1A1HPGD

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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases BAYER HEALTHCARE AG (DE) 2005-01-13 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-20050009820-A1 Thiochromenones used to combat painful conditions and neurodegenerative diseases HTT, HMOX1, SNCA MAPK14 3292/4885HDAC3 598/4885HDAC4 1055/4885

“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.