SCHEMBL4083170

SCHEMBL4083170

CCCCCCCCCCCC(=O)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
CYP1A2 P05177 1/20 0.67
HPGD P15428 1/20 0.67
CYP2C19 P33261 1/20 0.67
HSD17B10 Q99714 1/20 0.67
THRA P10827 1/20 0.61
KDM4E B2RXH2 1/20 0.55
STS P08842 4/20 0.55
HSD17B3 P37058 6/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC1 Q13547 2/20 0.54

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
SCHEMBL4020524 1.00 ALDH1A1 (0.67) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL16672058 1.00 ALDH1A1 (0.67) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL10574043 0.98 ALDH1A1 (0.68) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL10415403 0.94 ALDH1A1 (0.70) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL9805743 0.88 CYP1A2 (0.81) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL9805821 0.88 CYP1A2 (0.81) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL9805771 0.88 THRA (0.56) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL11465372 0.88 CYP2C19 (0.74) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL6344166 0.87 THRA (0.55) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10
SCHEMBL6340900 0.87 THRA (0.55) ALDH1A1CYP1A2HPGDCYP2C19HSD17B10

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-7511167-B2 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2009-03-31 US disclosed
US-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts Korea University Industry and Academy Cooperation Foundation (KR) 2008-03-20 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-20080071106-A1 Two-photon dyes for real-time imaging of lipid rafts LAMP2, FLOT1, NPC1L1 ALDH1A1 3083/4885CYP1A2 3609/4885HPGD 1822/4885

“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.