SCHEMBL13627010

SCHEMBL13627010

Cc1cc(C(C)(C)C)c(Op2oc3ccc4ccccc4c3c3c(ccc4ccccc43)o2)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.36
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
ABCG2 Q9UNQ0 5/20 0.33
AHR P35869 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 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
SCHEMBL17816273 0.84 NPC1 (0.32) HNF4ARAB9AL3MBTL1NPC1
SCHEMBL9685233 0.84 ALDH1A1 (0.33) CYP3A4ALDH1A1TSHR
SCHEMBL17280433 0.84 NPC1 (0.31) HNF4ARAB9AL3MBTL1NPC1
SCHEMBL19754861 0.81 AHR (0.36) HNF4ARAB9AL3MBTL1NPC1ABCG2
SCHEMBL17808717 0.80 ABCG2 (0.32) ABCG2AHR
SCHEMBL17808719 0.80 HSP90AA1 (0.34) RAB9AL3MBTL1NPC1MEN1MAPT
SCHEMBL17808714 0.79 ABCG2 (0.32) ABCG2
SCHEMBL18660109 0.78 HSD17B10 (0.37) RAB9AL3MBTL1NPC1ABCG2AHR
SCHEMBL12266789 0.78 ALDH1A1 (0.31) CYP3A4ALDH1A1
SCHEMBL19101245 0.77 ABCG2 (0.34) HNF4AABCG2AHRMAPT

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 HNF4A 214/4885RAB9A 2635/4885L3MBTL1 1465/4885
US-20070083066-A1 Method for the production of 1,7-octadiene and use thereof CYP51A1, MSMO1, HSD17B7 HNF4A 1385/4885RAB9A 4762/4885L3MBTL1 2263/4885

“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.