SCHEMBL4580573

SCHEMBL4580573

CCC(NC(=O)O)c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ACP3 P15309 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 2/20 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
SCHEMBL4597982 0.87 CYP26A1 (0.50) CYP26A1ACP3TAS1R3TAS1R1GPR139
SCHEMBL3370482 0.84 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL2022347 0.84 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL3376152 0.84 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL14142694 0.84 ALDH1A1 (0.59) CYP26A1ALDH1A1LMNAKDM4EHPGD
SCHEMBL7695804 0.80 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL13075267 0.79 ACHE (0.41) CYP26A1ALDH1A1ACP3MAPTHTT
SCHEMBL11483306 0.78 SMN1; SMN2 (0.47) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL23153279 0.77 ACHE (0.39) CYP26A1ALDH1A1ACP3MAPTHTT
SCHEMBL29339790 0.77 AOC3 (0.41) CYP26A1LMNAACP3MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4226883-A Carbamate derivatives and method for manufacture thereof YAMAMOTO IZURU 1980-10-07 US claimed
US-7897780-B2 Method for controlling phytopathogenic fungi using silylated carboxamides BAYER CROPSCIENCE AG (DE) 2011-03-01 US disclosed
US-20080292672-A1 Active Compound-Containing Solid Moulded Bodies for External Use Against Parasites on Animals ELANCO ANIMAL HEALTH GMBH (DE) 2008-11-27 US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 US disclosed
US-20070293455-A1 Silylated Carboxamides BAYER CROPSCIENCE AG (DE) 2007-12-20 US disclosed
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-09-27 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 (4 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX CYP26A1 2255/4885ALDH1A1 1233/4885LMNA 3030/4885
US-20070293455-A1 Silylated Carboxamides MRPL21, MRPS22, MRM1 CYP26A1 3945/4885ALDH1A1 1011/4885LMNA 1360/4885
US-20080292672-A1 Active Compound-Containing Solid Moulded Bodies for External Use Against Parasites on Animals MPO, EPX, CAT CYP26A1 743/4885ALDH1A1 838/4885LMNA 3468/4885
US-20070225170-A1 2-Halo-6-Alkylphenyl-Substituted Tetramic Acid Derivatives DDT, HDHD5, TBCA CYP26A1 908/4885ALDH1A1 2113/4885LMNA 3713/4885

“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.