SCHEMBL10154339

SCHEMBL10154339

CNCc1ccc(OCCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
RECQL P46063 1/20 0.50
NR1I2 O75469 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
S1PR2 O95136 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR3 Q99500 2/20 0.44
LPAR2 Q9HBW0 2/20 0.44
APP P05067 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44

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
SCHEMBL12954755 0.82 S1PR2 (0.56) SMN1; SMN2L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL13408004 0.82 LMNA (0.53) LOXL2SMN1; SMN2L3MBTL1S1PR2S1PR1
SCHEMBL347332 0.81 ALDH1A1 (0.60) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
Water SCHEMBL29229746 0.81 ALDH1A1 (0.71) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL12954628 0.79 S1PR2 (0.61) SMN1; SMN2L3MBTL1S1PR2S1PR1S1PR3
SCHEMBL1240006 0.79 ALDH1A1 (0.48) ALDH1A1RECQLCYP3A4
SCHEMBL28106819 0.78 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL48239 0.78 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2CYP3A4SMN1; SMN2
SCHEMBL17192651 0.78 S1PR2 (0.63) L3MBTL1S1PR2S1PR1S1PR3LPAR2
SCHEMBL14452030 0.78 HRH3 (0.66) ALDH1A1SMN1; SMN2LMNAMAPK1KDM4E

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-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ALDH1A1 3496/4885RECQL 4243/4885NR1I2 475/4885

“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.