SCHEMBL9947265

SCHEMBL9947265

C=C1OB(c2ccc(C3CCN(C)CC3)cc2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.38
LSS P48449 1/20 0.36
BRD9 Q9H8M2 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
DRD2 P14416 2/20 0.32
KDM1A O60341 2/20 0.32
MAOA P21397 2/20 0.32
KDM1B Q8NB78 2/20 0.32
RCOR1 Q9UKL0 2/20 0.32
PARP1 P09874 3/20 0.31

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
SCHEMBL578423 0.80 QDPR (0.44) QDPRLSS
SCHEMBL9947231 0.79 NAMPT (0.47)
SCHEMBL11961065 0.78 MAPT (0.41) ESR2
SCHEMBL13474635 0.78 LPL (0.38)
SCHEMBL12597610 0.77 HDAC4 (0.44) BRD9HDAC4HDAC1HDAC6
SCHEMBL1911717 0.75 LMNA (0.46) HDAC6
SCHEMBL13509394 0.75 LPL (0.34)
SCHEMBL14316224 0.73 ATM (0.48) APOBEC3AAPOBEC3G
SCHEMBL902510 0.73 DGAT1 (0.39)
SCHEMBL13195897 0.73 DGAT1 (0.39)

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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 QDPR 1469/4885LSS 2629/4885BRD9 1635/4885

“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.