SCHEMBL3689351

SCHEMBL3689351

Brc1cc(-c2ccc3ccccc3c2)c2ccc3ccc(-c4ccc5ccccc5c4)c4ccc1c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.43
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP2A6 P11509 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
DHFR P00374 1/20 0.36
CYP1A2 P05177 5/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35
ALOX5 P09917 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL5566042 0.94 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL4926982 0.94 GSTP1 (0.48) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL2789682 0.90 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL29950077 0.90 GSTP1 (0.46) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL27663026 0.90 PIM1 (0.41) GSTP1HDAC4HDAC2HDAC8CYP1A2
SCHEMBL3689587 0.88 GSTP1 (0.43) GSTP1HDAC4HDAC2HDAC8CYP2A6
SCHEMBL3792915 0.87 GSTP1 (0.55) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL3687907 0.87 GSTP1 (0.55) GSTP1HDAC4HDAC2HDAC8ESR1
SCHEMBL11024611 0.85 ALDH1A1 (0.39) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL22256166 0.85 HSD17B1 (0.42) GSTP1HDAC4HDAC2HDAC8CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169274-B2 Pyrene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-10-27 US disclosed
US-9169274-B2 Pyrene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-10-27 US disclosed
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120248420-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-10-04 US disclosed
US-20120248420-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-10-04 US disclosed
US-20120168733-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-05 US disclosed
US-20120168733-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-07-05 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 (3 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-20120168733-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME ESR2, AHR, AR GSTP1 1477/4885HDAC4 2291/4885HDAC2 1338/4885
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP GSTP1 662/4885HDAC4 4622/4885HDAC2 3706/4885
US-20120248420-A1 PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME HNRNPA0, AHR, YBX1 GSTP1 1286/4885HDAC4 3451/4885HDAC2 2122/4885

“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.