SCHEMBL10122673

SCHEMBL10122673

c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-c6c7ccccc7cc7c6oc6ccccc67)ccc45)cc3)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
GPR84 Q9NQS5 2/20 0.36
ALOX5 P09917 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PIK3CD O00329 2/20 0.35
XRCC6 P12956 2/20 0.35
XRCC5 P13010 2/20 0.35
PRKDC P78527 2/20 0.35
AHR P35869 1/20 0.35
PIK3CA P42336 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
HSD17B1 P14061 2/20 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
SCHEMBL10122669 0.96 CYP1B1 (0.40) CYP1A1CYP1B1GPR84ALOX5CYP1A2
SCHEMBL10122579 0.95 GPR84 (0.39) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122597 0.95 GPR84 (0.39) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL20131253 0.94 ESR1 (0.36) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122681 0.94 HSD17B1 (0.37) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122577 0.94 GPR84 (0.40) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122587 0.93 PLA2G2A (0.39) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122633 0.92 CYP1A1 (0.39) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122594 0.92 GPR84 (0.41) CYP1A1CYP1B1ESR1ESR2GPR84
SCHEMBL10122582 0.91 HSD17B1 (0.38) CYP1A1CYP1B1ESR1ESR2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9373792-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-06-21 US disclosed
US-9373792-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2016-06-21 US disclosed
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2015-12-24 US disclosed
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD (JP) 2015-12-24 US disclosed
US-9147847-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-9147847-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2015-09-29 US disclosed
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-01-01 US disclosed
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2015-01-01 US disclosed
US-8866135-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-8866135-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 US disclosed
US-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IIDEMITSU KOSAN CO., LTD (JP) 2014-06-12 US disclosed
US-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IIDEMITSU KOSAN CO., LTD (JP) 2014-06-12 US disclosed
US-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed
US-8629430-B2 Anthracene derivative and organic electroluminescent element using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-01-14 US disclosed
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
WO-2010137285-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME 出光興産株式会社 (JP) 2010-12-02 WO 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 (4 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-20140159005-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 CYP1A1 106/4885CYP1B1 562/4885ESR1 241/4885
US-20150372237-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 CYP1A1 106/4885CYP1B1 562/4885ESR1 241/4885
US-20120138914-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 CYP1A1 106/4885CYP1B1 562/4885ESR1 241/4885
US-20150005512-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME SOX18, ANXA1, ANXA11 CYP1A1 106/4885CYP1B1 562/4885ESR1 241/4885

“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.