SCHEMBL17247174

SCHEMBL17247174

c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4c6ccccc6ccc54)c4ccccc34)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 7/20 0.42
▸ CYP1A1 P04798 6/20 0.42
▸ CYP1A2 P05177 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HPRT1 P00492 3/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NQO2 P16083 2/20 0.36
▸ NQO1 P15559 1/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ ERBB2 P04626 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ AHR P35869 1/20 0.34
▸ MAPT P10636 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
SCHEMBL20131228 0.94 CYP1B1 (0.40) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL17247178 0.94 CYP1A1 (0.42) CYP1B1CYP1A1CYP1A2ALDH1A1HPRT1
SCHEMBL17247176 0.94 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL17247172 0.92 CYP1B1 (0.39) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL22218913 0.91 ALOX5 (0.43) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL22218976 0.91 ALOX5 (0.43) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL22218977 0.91 HPRT1 (0.40) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL19082132 0.91 CYP1A1 (0.40) CYP1B1CYP1A1CYP1A2ALDH1A1HPRT1
SCHEMBL17246870 0.91 CYP1A1 (0.49) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10
SCHEMBL17247171 0.91 CYP1B1 (0.42) CYP1B1CYP1A1CYP1A2ALDH1A1HSD17B10

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 9 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-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 CYP1B1 341/4885CYP1A1 399/4885CYP1A2 821/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CYP1B1 276/4885CYP1A1 61/4885CYP1A2 252/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CYP1B1 276/4885CYP1A1 61/4885CYP1A2 252/4885

“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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