SCHEMBL17247166

SCHEMBL17247166

c1cc(-c2ccc3sc4c5ccccc5ccc4c3c2)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.42
CYP1B1 Q16678 5/20 0.42
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 3/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
F9 P00740 1/20 0.36
LIMK1 P53667 1/20 0.34
S1PR4 O95977 3/20 0.33
S1PR5 Q9H228 3/20 0.33
PRKDC P78527 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL17247144 0.99 CYP1A1 (0.43) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL17247170 0.96 CYP1A1 (0.41) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL17247164 0.95 CYP1A1 (0.42) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL19082277 0.93 CYP1A1 (0.40) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL17247145 0.92 CYP1A1 (0.41) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL19082252 0.92 CYP1A1 (0.40) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL17247208 0.91 CYP1A1 (0.43) CYP1A1CYP1B1ALOX5CYP1A2CA12
SCHEMBL17247147 0.91 CYP1A1 (0.48) CYP1A1CYP1B1ALOX5CYP1A2MCL1
SCHEMBL17247162 0.91 CYP1A1 (0.48) CYP1A1CYP1B1ALOX5CYP1A2MCL1
SCHEMBL17246872 0.91 CYP1A1 (0.48) CYP1A1CYP1B1ALOX5CYP1A2MCL1

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 CYP1A1 399/4885CYP1B1 341/4885ALOX5 4115/4885
US-20180198077-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CYP1A1 61/4885CYP1B1 276/4885ALOX5 1507/4885
US-20150325800-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME ANXA1, ANXA11, L1CAM CYP1A1 61/4885CYP1B1 276/4885ALOX5 1507/4885

“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.