SCHEMBL17246971

SCHEMBL17246971

c1ccc2c(c1)ccc1ccc(-c3c4ccccc4c(-c4ccc5sc6c7ccccc7c7ccccc7c6c5c4)c4ccccc34)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ HPRT1 P00492 3/20 0.36
▸ NQO2 P16083 2/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP1A2 P05177 5/20 0.34
▸ HPGD P15428 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX5 P09917 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ERBB2 P04626 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ AHR P35869 1/20 0.33

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
SCHEMBL17246976 0.94 HPRT1 (0.38) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL17246969 0.91 CYP1A2 (0.34) ALDH1A1HSD17B10NQO2NQO1CYP1A2
SCHEMBL17246987 0.91 ALOX5 (0.39) ALDH1A1CYP1A2HPGDALOX5PTPN1
SCHEMBL17247014 0.90 HPRT1 (0.39) ALDH1A1HSD17B10CYP1B1HIF1AHPRT1
SCHEMBL17246970 0.89 ALDH1A1 (0.37) ALDH1A1HSD17B10HIF1ANQO2NQO1
SCHEMBL17246980 0.88 NQO2 (0.36) ALDH1A1HSD17B10NQO2NQO1CYP1A2
SCHEMBL17246997 0.88 ALOX5 (0.37) ALDH1A1CYP1A2HPGDALOX5PTPN1
SCHEMBL17246972 0.88 ALOX5 (0.40) ALDH1A1HSD17B10CYP1B1HIF1ATSHR
SCHEMBL17246979 0.88 ESR1 (0.37) ALDH1A1HSD17B10CYP1A2HPGDTHRB
SCHEMBL17945336 0.88 ESR1 (0.37) ALDH1A1HSD17B10CYP1A2HPGDTHRB

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-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 ALDH1A1 476/4885HSD17B10 2025/4885CYP1B1 341/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ALDH1A1 175/4885HSD17B10 1723/4885CYP1B1 276/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM ALDH1A1 175/4885HSD17B10 1723/4885CYP1B1 276/4885

“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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