SCHEMBL633550

SCHEMBL633550

NCCc1c(O)cccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.56
DRD2 P14416 3/20 0.46
DRD1 P21728 3/20 0.46
HTR2C P28335 1/20 0.46
TDP1 Q9NUW8 6/20 0.43
RECQL P46063 5/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
ADRA2A P08913 3/20 0.43
SLC6A2 P23975 3/20 0.43
MAPK1 P28482 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HTR1A P08908 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
SLC6A3 Q01959 2/20 0.43
APEX1 P27695 2/20 0.43

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
Hydrochloric Acid SCHEMBL38660562 0.97 TAAR1 (0.54) TAAR1DRD2DRD1HTR2CTDP1
SCHEMBL8680504 0.86 TAAR1 (0.65) TAAR1HTR2CTDP1RECQLKDM4E
SCHEMBL10782682 0.83 HSD17B10 (0.50) TAAR1TDP1RECQLKDM4EALDH1A1
SCHEMBL3696213 0.80 TSHR (0.55) TAAR1KDM4EALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL7743471 0.78 BACE1 (0.51) TAAR1ALDH1A1MAPTMAPK1HSD17B10
SCHEMBL10011721 0.78 HPGD (0.45) TDP1RECQLKDM4EALDH1A1MAPT
SCHEMBL10012978 0.78 SLC28A3 (0.46) TAAR1HTR2CTDP1RECQLKDM4E
SCHEMBL633333 0.78 ALDH1A1 (0.52) TAAR1TDP1RECQLKDM4EALDH1A1
Bromide SCHEMBL2385573 0.76 ALDH1A1 (0.50) TAAR1TDP1RECQLKDM4EALDH1A1
Hydrochloric Acid SCHEMBL10351616 0.76 ALDH1A1 (0.50) TAAR1HTR2CTDP1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866357-B1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO KK (JP) 2012-02-22 EP disclosed
US-8044235-B2 (Meth) acryloyl group-containing aromatic isocyanate compound and production process thereof SHOWA DENKO K.K. (JP) 2011-10-25 US disclosed
US-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof SHOWA DENKO K.K. (JP) 2009-02-26 US disclosed
EP-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 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-20090054543-A1 (Meth) Acryloyl Group-Containing Aromatic Isocyanate Compound and Production Process Thereof PRMT5, ACR, PRMT1 TAAR1 1767/4885DRD2 1809/4885DRD1 797/4885

“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.