SCHEMBL130149

SCHEMBL130149

C=COc1cc(Br)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
AMY1A P0DUB6 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
TNFRSF1A P19438 1/20 0.40
PYCR1 P32322 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40

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
Ethyne SCHEMBL28045684 0.81 CA2 (0.52) APPSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL20509 0.81 CA2 (0.56) APPSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL29419589 0.81 CA2 (0.56) APPSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL14725300 0.81 TSHR (0.46) APPAMY1ALMNASMN1; SMN2L3MBTL1
Formaldehyde SCHEMBL23581083 0.79 CA2 (0.50) APPSMN1; SMN2ALDH1A1KDM4ETDP1
SCHEMBL1256865 0.79 CA2 (0.54) APPSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL129594 0.78 AMY1A (0.51) AMY1ALMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5832081 0.78 MAPK1 (0.58) LMNASMN1; SMN2L3MBTL1ALDH1A1TDP1
Methyl Alcohol SCHEMBL28799088 0.77 CA2 (0.52) APPSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL24716965 0.77 NFE2L2 (0.49) ALDH1A1PPARGPPARDPPARAKDM4E

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 10 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
EP-2643000-A2 THERAPEUTIC PIPERAZINES Dart Neuroscience (Cayman) Ltd (KY) 2013-10-02 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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 (3 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 APP 346/4885AMY1A 2088/4885LMNA 2956/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 APP 4175/4885AMY1A 3817/4885LMNA 1679/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D APP 346/4885AMY1A 2088/4885LMNA 2956/4885

“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.