SCHEMBL7045697

SCHEMBL7045697

CCCCCCCCCCCCOC(=O)C1=C(Br)N(C)C(Br)=C(C(=O)OCCCCCCCCCCCC)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 3/20 0.49
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
CHRM2 P08172 2/20 0.45
CHRM4 P08173 2/20 0.45

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
SCHEMBL7046120 1.00 KDM4E (0.53) KDM4EGAAALDH1A1TSHRLMNA
SCHEMBL7047706 0.80 CACNA1F (0.66) KDM4EALDH1A1TSHRLMNAHSD17B10
SCHEMBL10830248 0.80 CACNA1F (0.66) KDM4EALDH1A1TSHRLMNAHSD17B10
SCHEMBL7048693 0.79 ALDH1A1 (0.51) KDM4EALDH1A1TSHRLMNACYP3A4
SCHEMBL7044551 0.79 ALDH1A1 (0.51) KDM4EALDH1A1TSHRLMNACYP3A4
SCHEMBL7044561 0.79 ALDH1A1 (0.51) KDM4EALDH1A1TSHRLMNACYP3A4
SCHEMBL7048080 0.79 ALDH1A1 (0.51) KDM4EALDH1A1TSHRLMNACYP3A4
Bromide SCHEMBL7046534 0.78 KDM4E (0.46) KDM4EGAAALDH1A1TSHRLMNA
Bromide SCHEMBL7044895 0.75 PPARG (0.46) KDM4EALDH1A1TSHRLMNACYP3A4
SCHEMBL9118263 0.73 NPSR1 (0.59) KDM4EGAATSHRLMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 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 (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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 KDM4E 2990/4885GAA 1302/4885ALDH1A1 2344/4885

“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.