SCHEMBL13066090

SCHEMBL13066090

CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)cc(C(=O)Nc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ PTPN11 Q06124 1/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ ALOX5 P09917 1/20 0.45
▸ KAT6A Q92794 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL13066091 0.95 PTPN11 (0.50) MEN1KMT2APTPN11HDAC1KAT6A
SCHEMBL13023726 0.84 L3MBTL1 (0.46) CYP17A1MEN1KMT2AHDAC1KAT6A
SCHEMBL13065996 0.82 HDAC3 (0.49) CYP17A1MEN1KMT2AHDAC4HDAC1
SCHEMBL13023613 0.82 LMNA (0.46) CYP17A1MEN1KMT2AHDAC1KAT6A
SCHEMBL13754832 0.82 CYP17A1 (0.64) CYP17A1ADORA3MEN1KMT2APOLB
SCHEMBL13023542 0.80 HDAC3 (0.49) CYP17A1MEN1KMT2AHDAC4HDAC1
SCHEMBL13300058 0.79 RXFP1 (0.45) MEN1KMT2AHDAC1KAT6AHDAC3
SCHEMBL31396764 0.78 KMT2A (0.59) MEN1KMT2APOLBHDAC1KAT6A
SCHEMBL13350005 0.78 NAMPT (0.56) CYP17A1MEN1KMT2APOLBPTPN11
SCHEMBL3510402 0.76 CYP17A1 (0.67) CYP17A1ADORA3MEN1KMT2AHDAC4

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 CYP17A1 512/4885ADORA3 4433/4885MEN1 379/4885

“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.

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