SCHEMBL13414606

SCHEMBL13414606

Cc1ccc(-c2ccc3cc(-c4ccc5cc(-c6nc7ccccc7n6-c6ccccc6)ccc5c4)ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ESR1 P03372 1/20 0.52
▸ ESR2 Q92731 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ GRIA1 P42261 1/20 0.48
▸ CACNG8 Q8WXS5 1/20 0.48
▸ CACNG2 Q9Y698 1/20 0.48
▸ MAPK10 P53779 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PRKACA P17612 1/20 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
SCHEMBL10023640 0.94 MAPK1 (0.53) MAPK1HTTESR1ESR2SIRT2
SCHEMBL10023611 0.94 MAPK1 (0.53) MAPK1HTTESR1ESR2SIRT2
SCHEMBL12571920 0.93 MAPK1 (0.54) MAPK1HTTESR1ESR2SIRT2
SCHEMBL14506141 0.93 ESR1 (0.59) MAPK1HTTESR1ESR2SIRT2
SCHEMBL10023592 0.92 MAPK10 (0.53) MAPK1HTTESR1ESR2SIRT2
SCHEMBL23594320 0.92 ESR1 (0.56) MAPK1HTTESR1ESR2SIRT2
SCHEMBL14505891 0.90 MAPK10 (0.54) MAPK1HTTESR1ESR2SIRT2
SCHEMBL11954041 0.90 SIRT2 (0.47) MAPK1HTTESR1ESR2SIRT2
SCHEMBL14506132 0.90 ESR1 (0.56) MAPK1HTTESR1ESR2SIRT2
SCHEMBL14506131 0.90 ESR1 (0.56) MAPK1HTTESR1ESR2SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318948-B2 Fluorene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-11-27 — — US disclosed
US-8318948-B2 Fluorene derivatives and organic electronic device using the same LG CHEM, LTD. (KR) 2012-11-27 — — US disclosed
US-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-03-25 — — US disclosed
US-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2010-03-25 — — 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-20100071769-A1 FLUORENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, FTO MAPK1 2921/4885HTT 2043/4885ESR1 82/4885

“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.

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