SCHEMBL3689587

SCHEMBL3689587

Brc1cc(-c2ccc3ccccc3c2)c2ccc3c(-c4ccccc4)cc(-c4ccc5ccccc5c4)c4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.43
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4926982 0.94 GSTP1 (0.48) GSTP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5566042 0.88 GSTP1 (0.43) GSTP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3689351 0.88 GSTP1 (0.43) GSTP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4584902 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14281969 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL5811792 0.85 GSTP1 (0.57) GSTP1ALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL2208749 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3689582 0.84 GSTP1 (0.46) GSTP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3683815 0.84 PIM1 (0.42) GSTP1ALDH1A1CYP1A2HSD17B1HSD17B2
SCHEMBL3418910 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US disclosed
EP-1749809-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-07 EP disclosed
US-20060154107-A1 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 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-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP GSTP1 662/4885ALDH1A1 1078/4885KDM4E 1113/4885

“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.