SCHEMBL369121

SCHEMBL369121

Cn1cc(C(=O)C=Cc2ccc(Cl)cc2F)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
PTPN5 P54829 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
ALOX5 P09917 1/20 0.40
GPR183 P32249 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL369120 1.00 CYP1A1 (0.43) CYP1A1CYP1B1LMNAMAPTHPGD
SCHEMBL370527 0.86 CYP1A1 (0.43) CYP1A1CYP1B1LMNAMAPTHPGD
SCHEMBL1390312 0.86 CYP1A1 (0.43) CYP1A1CYP1B1LMNAMAPTHPGD
SCHEMBL370523 0.85 PTPN5 (0.43) LMNAMAPTHPGDPTPN5HDAC3
SCHEMBL370522 0.85 PTPN5 (0.43) LMNAMAPTHPGDPTPN5HDAC3
SCHEMBL368351 0.76 TNFRSF1A (0.46) CYP1A1CYP1B1MAPTHDAC3HDAC4
SCHEMBL368350 0.76 TNFRSF1A (0.46) CYP1A1CYP1B1MAPTHDAC3HDAC4
SCHEMBL368685 0.75 EPHX2 (0.45) CYP1A1CYP1B1LMNAMAPTHPGD
SCHEMBL368684 0.75 EPHX2 (0.45) CYP1A1CYP1B1LMNAMAPTHPGD
SCHEMBL1703542 0.72 HDAC3 (0.49) LMNAMAPTHDAC3HDAC4HDAC1

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 CYP1A1 109/4885CYP1B1 84/4885LMNA 2651/4885

“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.