SCHEMBL368351

SCHEMBL368351

Cn1cc(C(=O)C=Cc2cc(F)cc(F)c2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.46
HDAC11 Q96DB2 3/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KRAS P01116 1/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 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
SCHEMBL368350 1.00 TNFRSF1A (0.46) TNFRSF1AHDAC11HDAC8HDAC6HDAC3
SCHEMBL369120 0.76 CYP1A1 (0.43) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL369121 0.76 CYP1A1 (0.43) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL1224370 0.73 CYP1B1 (0.63) TNFRSF1ASMN1; SMN2ALDH1A1L3MBTL1KRAS
SCHEMBL362071 0.73 CYP1B1 (0.63) TNFRSF1ASMN1; SMN2ALDH1A1L3MBTL1KRAS
SCHEMBL9338075 0.72 MAPT (0.64) SMN1; SMN2ALDH1A1MEN1HTTKMT2A
SCHEMBL9338090 0.72 MAPT (0.64) SMN1; SMN2ALDH1A1MEN1HTTKMT2A
SCHEMBL370523 0.72 PTPN5 (0.43) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL370522 0.72 PTPN5 (0.43) HDAC11HDAC8HDAC6HDAC3HDAC4
SCHEMBL368230 0.71 TNFRSF1A (0.49) TNFRSF1ASMN1; SMN2ALDH1A1L3MBTL1KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 TNFRSF1A 1929/4885HDAC11 2760/4885HDAC8 4169/4885

“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.