SCHEMBL12577796

SCHEMBL12577796

c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5ccc6ccccc6c5n4)ccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 8/20 0.41
▸ ESR2 Q92731 7/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HPRT1 P00492 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL12577801 0.98 ESR1 (0.40) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577833 0.96 PARP1 (0.40) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577865 0.96 ESR1 (0.41) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577847 0.94 MEN1 (0.40) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577825 0.94 PARP1 (0.40) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577813 0.93 PARP1 (0.37) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577820 0.92 PARP1 (0.39) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577881 0.90 CYP1A1 (0.41) ESR1ESR2PARP1CYP1A1CYP1B1
SCHEMBL12577807 0.90 ALDH1A1 (0.40) ESR1ESR2CYP1A1CYP1B1CYP1A2
SCHEMBL12577857 0.90 CYP1A2 (0.40) CYP1A1CYP1B1CYP1A2MAPTL3MBTL1

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-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 — — US disclosed
US-8318325-B2 Anthracene derivatives and organic electronic device using same LG CHEM, LTD. (KR) 2012-11-27 — — US disclosed
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 — — US disclosed
US-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-06-30 — — 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-20110156017-A1 NOVEL ANTHRACENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING SAME VDAC2, VDAC3, ANXA1 ESR1 57/4885ESR2 538/4885PARP1 809/4885

“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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