SCHEMBL13627006

SCHEMBL13627006

CC(C)(C)c1cc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2OPOc2cccc3ccccc23)c(OPOc2cccc3ccccc23)c(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXRA P19793 5/20 0.34
RXRB P28702 5/20 0.34
RXRG P48443 5/20 0.34
MAPK14 Q16539 2/20 0.34
RARA P10276 2/20 0.34
HPGD P15428 1/20 0.33
HTR1B P28222 2/20 0.32
PGR P06401 1/20 0.32
GAA P10253 1/20 0.32
PTGS1 P23219 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR1D P28221 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL7212870 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10KDM4ERXRARXRB
SCHEMBL19754873 0.79 CA1 (0.33) ALDH1A1HSD17B10KDM4ERXRARXRB
SCHEMBL14586980 0.79 CYP1A2 (0.35) ALDH1A1RXRARXRBRXRGRARA
SCHEMBL13627003 0.79 ALDH1A1 (0.37) ALDH1A1HSD17B10KDM4EMAPK14HTR1B
SCHEMBL13627009 0.78 CYP1A2 (0.38) ALDH1A1KDM4EHPGDGAAMAPK1
SCHEMBL14544097 0.75 RXRA (0.35) ALDH1A1HSD17B10KDM4ERXRARXRB
SCHEMBL13626997 0.75 LMNA (0.33) RXRARXRBRXRG
SCHEMBL13617400 0.73 RXRA (0.31) RXRARXRBRXRGRARA
SCHEMBL14452690 0.72 HSP90AA1 (0.36)
SCHEMBL17805746 0.72 MAPK14 (0.43) ALDH1A1HSD17B10KDM4ERXRAMAPK14

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-7615645-B2 Method for the continuous production of aldehydes BASF AKTIENGESELLSCHAFT (DE) 2009-11-10 US disclosed
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof BASF AKTIENGESELLSCHAFT (DE) 2007-04-12 US disclosed
US-20070004939-A1 Method for the continuous production of aldehydes VOLLAND MARTIN 2007-01-04 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 (2 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-20070004939-A1 Method for the continuous production of aldehydes HRH4, HRH2, HRH3 ALDH1A1 484/4885HSD17B10 658/4885KDM4E 4664/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 ALDH1A1 82/4885HSD17B10 20/4885KDM4E 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.