SCHEMBL9972448

SCHEMBL9972448

COc1cc(C)c(C)cc1C(=O)CCCCCBr

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.43
HDAC1 Q13547 1/20 0.43
HTR4 Q13639 2/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL27200200 0.88 CTNNB1 (0.43) HDAC8HDAC1KMT2ACTNNB1WNT3A
SCHEMBL1441802 0.88 KMT2A (0.49) HDAC8HDAC1HTR4KMT2AMEN1
SCHEMBL9972449 0.80 HTT (0.44) KMT2AMEN1TDP1L3MBTL1HTT
SCHEMBL9510455 0.79 HTT (0.38) HDAC8HDAC1THRATHRBHTT
SCHEMBL27200193 0.79 HDAC8 (0.41) HDAC8HDAC1KMT2AMEN1GAA
SCHEMBL7267209 0.79 MAPT (0.55) HDAC8HDAC1KMT2AMEN1HTT
SCHEMBL8537739 0.79 RAB9A (0.56) HDAC8HDAC1KMT2AMEN1L3MBTL1
SCHEMBL7387684 0.79 HTR4 (0.64) HTR4KMT2AMEN1GAAHTR2A
SCHEMBL1441269 0.79 HMGCR (0.59) HDAC8HDAC1KMT2AMEN1GAA
SCHEMBL9117235 0.79 HMGCR (0.59) HDAC8HDAC1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546402-B2 Chromone derivatives, a process for their preparation and their therapeutic applications SOKOLOFF PIERRE (FR) 2013-10-01 US disclosed
US-20120157463-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS PIERRE FABRE MEDICAMENT (FR) 2012-06-21 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-20120157463-A1 CHROMONE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATIONS CHRNA3, CHRM3, VDR HDAC8 2707/4885HDAC1 2719/4885HTR4 53/4885

“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.