SCHEMBL4391630

SCHEMBL4391630

Oc1ccc2ccccc2c1C1c2ccccc2CCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRCP P42785 2/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11948851 0.87 PRCP (0.46) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL4402003 0.86 PRCP (0.56) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL4399615 0.84 HDAC3 (0.51) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL4388627 0.79 PRCP (0.54) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL14371835 0.77 KDM4E (0.51) KDM4EALDH1A1GAAMAPT
SCHEMBL2793914 0.76 PRCP (0.70) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL11948852 0.75 MTNR1B (0.46) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL11948859 0.75 PRCP (0.58) HDAC8HDAC3HDAC1HDAC2NCOR2
Bromide SCHEMBL27345751 0.74 PRCP (0.68) HDAC8HDAC3HDAC1HDAC2NCOR2
SCHEMBL11948849 0.73 HDAC1 (0.49) HDAC8HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed
US-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS CHAO-JUN LI (CA) 2009-12-10 US disclosed
WO-2007098608-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASSYMETRIC REACTIONS LI CHAO-JUN (CA) 2007-09-07 WO 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-20090306390-A1 CHIRAL LIGANDS, THEIR PREPARATION AND USES THEREOF IN ASYMMETRIC REACTIONS OR10J3, C1R, C3AR1 HDAC8 3678/4885HDAC3 1862/4885HDAC1 2637/4885

“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.