SCHEMBL21594497

SCHEMBL21594497

CCN(CC)c1ccc(/C=C/c2ccc(/C=C/c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
RELA Q04206 2/20 0.61
ALDH3A1 P30838 1/20 0.61
ALDH1A3 P47895 1/20 0.61
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
BCHE P06276 3/20 0.56
ACHE P22303 3/20 0.56
NPC1 O15118 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL4243407 1.00 ALDH1A1 (0.61) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL9192952 1.00 ALDH1A1 (0.61) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL2622612 0.92 ALDH1A1 (0.57) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL14602215 0.92 ALDH1A1 (0.57) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL2622641 0.92 ALDH1A1 (0.57) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL8171054 0.91 ALDH1A1 (0.71) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL2298602 0.91 ALDH1A1 (0.71) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL2298605 0.91 ALDH1A1 (0.71) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL8171052 0.91 ALDH1A1 (0.71) ALDH1A1RELAALDH3A1ALDH1A3MEN1
SCHEMBL9443248 0.90 ALDH1A1 (0.55) ALDH1A1RELAALDH3A1ALDH1A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210284608-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2021-09-16 US disclosed
WO-2019238532-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2019-12-19 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-20210284608-A1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES OR10J3, OXER1, CDC73 ALDH1A1 3708/4885RELA 1013/4885ALDH3A1 3728/4885

“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.