SCHEMBL1817681

SCHEMBL1817681

CCCCC(CC)CN(CCC(C)C)c1ccc(N(CCC(C)C)CC(CC)CCCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA2 P00918 3/20 0.35
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
CNR2 P34972 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31

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
SCHEMBL1812804 0.90 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL8438809 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL8440732 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL22620082 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL11329199 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL7766631 0.80 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRLMNAHSD17B10
Hydrochloric Acid SCHEMBL11407281 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL5471860 0.80 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRLMNAHSD17B10
SCHEMBL11904607 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRLMNAKDM4E
SCHEMBL411184 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703682-B2 Lubrication and lubricating oil compositions INFINEUM INTERNATIONAL LIMITED (GB) 2014-04-22 US claimed
EP-2319904-B1 Lubrication and lubricating oil compositions comprising phenylene diamines INFINEUM INT LTD (GB) 2012-07-11 EP claimed
EP-2319904-A1 Lubrication and lubricating oil compositions comprising phenylene diamines Infineum International Limited (GB) 2011-05-11 EP claimed
US-20110105372-A1 Lubrication and Lubricating Oil Compositions LANXESS SOLUTIONS US INC. 2011-05-05 US claimed

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-20110105372-A1 Lubrication and Lubricating Oil Compositions TAF9, FLNA, FLNB ALDH1A1 956/4885CYP3A4 1721/4885TSHR 1806/4885

“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.