SCHEMBL17247157

SCHEMBL17247157

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc5sc6c7ccccc7ccc6c5c4)c4ccccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ CACNG2 Q9Y698 1/20 0.41
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK9 P45984 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ CYP1A1 P04798 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
SCHEMBL17247155 0.97 ESR1 (0.42) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17247195 0.93 ESR2 (0.47) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17247196 0.90 ESR1 (0.43) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17247161 0.89 MAPK1 (0.44) ALDH1A1KDM4EMAPK9MAPK14MAPK1
SCHEMBL21392655 0.88 ESR2 (0.52) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL20374974 0.87 ESR2 (0.42) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17246994 0.87 ESR2 (0.47) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17247078 0.87 ESR2 (0.49) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL17247159 0.87 PDE10A (0.38) ESR2ESR1GRIA1CACNG8CACNG2
SCHEMBL26345509 0.86 ESR2 (0.48) ESR2ESR1GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 — — US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 — — US disclosed
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2018-07-12 — — US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 — — US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 — — US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 — — US disclosed
US-9947879-B2 Anthracene derivative and organic electroluminescence element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-04-17 — — US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 — — US disclosed
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-11-12 — — 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 ESR2 37/4885ESR1 152/4885GRIA1 367/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ESR2 20/4885ESR1 60/4885GRIA1 356/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ESR2 20/4885ESR1 60/4885GRIA1 356/4885

“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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