SCHEMBL15905723

SCHEMBL15905723

CCCc1ccc(Br)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 3/20 0.46
EDNRB P24530 2/20 0.40
EDNRA P25101 2/20 0.40
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
MAPK1 P28482 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL1680569 0.88 TYR (0.44) PYCR1EDNRBEDNRAMEN1CYP3A4
SCHEMBL27755414 0.83 PYCR1 (0.46) PYCR1MEN1KMT2AALDH1A1POLB
SCHEMBL14222335 0.83 TAAR1 (0.41) PYCR1EDNRBEDNRACHRNB2CHRNA7
SCHEMBL11717708 0.82 EDNRB (0.39) PYCR1EDNRBEDNRACHRNB2CHRNA7
SCHEMBL30169578 0.82 PYCR1 (0.49) PYCR1EDNRBEDNRAMEN1CYP1A2
SCHEMBL12164465 0.82 PYCR1 (0.49) PYCR1EDNRBEDNRAMEN1CYP1A2
SCHEMBL5743 0.81 PYCR1 (0.45) PYCR1CHRNB2CHRNA7CHRNA4MEN1
SCHEMBL29890016 0.81 TAAR1 (0.52) PYCR1
SCHEMBL5820 0.81 PYCR1 (0.45) PYCR1MEN1KMT2AALDH1A1POLB
SCHEMBL4951267 0.81 PYCR1 (0.45) PYCR1ALDH1A1POLBMAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017143011-A1 HISTONE DEMETHYLASE INHIBITORS Chrysalis, Inc. (US) 2017-08-24 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 PYCR1 668/4885EDNRB 71/4885EDNRA 44/4885

“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.