SCHEMBL10176304

SCHEMBL10176304

CC(C)(C)CC(=O)Nc1cccc(C(C)(C)C)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.69
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
KCNJ6 P48051 1/20 0.60
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
HDAC3 O15379 2/20 0.60
RAB9A P51151 4/20 0.58
GAA P10253 3/20 0.58
MAPT P10636 2/20 0.58
NLRP3 Q96P20 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL23518557 0.88 HPGD (0.81) HPGDKMT2AMEN1RAB9AGAA
SCHEMBL17896343 0.88 KCNJ6 (0.58) HPGDKMT2AMEN1KCNJ6KCNJ5
SCHEMBL19728234 0.85 POLB (0.63) KMT2AMEN1KCNJ6KCNJ5KCNJ3
SCHEMBL4007414 0.84 KCNJ6 (0.64) HPGDKMT2AMEN1KCNJ6KCNJ5
SCHEMBL19729062 0.83 KCNJ6 (0.59) HPGDKCNJ6KCNJ5KCNJ3HDAC8
SCHEMBL12622675 0.83 KCNJ6 (0.59) HPGDKMT2AMEN1KCNJ6KCNJ5
SCHEMBL11757380 0.82 KMT2A (0.71) HPGDKMT2AMEN1RAB9AGAA
SCHEMBL9125391 0.82 HPGD (1.00) HPGDKMT2AMEN1HDAC8HDAC6
SCHEMBL12622676 0.81 KCNJ6 (0.58) HPGDKMT2AMEN1KCNJ6KCNJ5
SCHEMBL13547894 0.81 SMN1; SMN2 (0.76) HPGDKMT2AMEN1KCNJ6KCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX HPGD 2475/4885KMT2A 2710/4885MEN1 2968/4885

“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.