SCHEMBL682824

SCHEMBL682824

Cc1ccc(C(C)(C)C)c2c1OC(C)(C)C2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL20127238 0.87 PTGS1 (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL682579 0.81
SCHEMBL660362 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9571423 0.76 CYP26A1 (0.34) CYP3A4
SCHEMBL14444109 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9571537 0.73 FFAR4 (0.30)
SCHEMBL21101038 0.72
SCHEMBL9571535 0.69 EZH2 (0.33) MEN1KMT2A
SCHEMBL7994509 0.69 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6314822 0.69 PTGS1 (0.35) PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD (KY) 2014-02-06 US disclosed
US-8501745-B2 Piperazine PDE4 inhibitors and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-08-06 US disclosed
US-8338405-B2 Therapeutic piperazines DART NEUROSCIENCE LLC (US) 2012-12-25 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065689-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065688-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE LLC 2011-03-17 US disclosed
US-7829713-B2 Therapeutic piperazines HELICON THERAPEUTICS, INC. (US) 2010-11-09 US disclosed
US-20070203124-A1 Therapeutic Piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2007-08-30 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 (6 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885SMN1; SMN2 923/4885CYP1A2 1223/4885
US-20070203124-A1 Therapeutic Piperazines PDE4A, PDE4B, PDE12 ALDH1A1 838/4885SMN1; SMN2 734/4885CYP1A2 589/4885
US-20110065688-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 ALDH1A1 838/4885SMN1; SMN2 734/4885CYP1A2 589/4885
US-20110065689-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE12 ALDH1A1 838/4885SMN1; SMN2 734/4885CYP1A2 589/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D ALDH1A1 1228/4885SMN1; SMN2 923/4885CYP1A2 1223/4885
US-20140038945-A1 PIPERAZINE PDE4 INHIBITORS AND USES THEREOF PDE4A, PDE12, PDE4B ALDH1A1 614/4885SMN1; SMN2 1533/4885CYP1A2 829/4885

“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.