SCHEMBL2273178

SCHEMBL2273178

[c]1ccc(-c2ccc3ccccc3c2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.47
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
DHFR P00374 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 3/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37

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
SCHEMBL3777907 0.90 ALDH1A1 (0.42) GSTP1GPR84CYP1A2CYP11B1CYP11B2
SCHEMBL2273812 0.90 GSTP1 (0.44) GSTP1HDAC4HDAC2HDAC8GPR84
SCHEMBL20774189 0.88 ALDH1A1 (0.44) GSTP1CYP1A2CYP1B1CA1CA2
SCHEMBL20773995 0.83 CYP1A2 (0.43) GSTP1KDM4ECYP1A2CYP3A4CYP1A1
SCHEMBL9346063 0.82 PIM1 (0.33) GSTP1HDAC4HDAC2HDAC8ESR2
SCHEMBL3775152 0.81 ALDH1A1 (0.40) GSTP1CYP1A2HSD17B1HSD17B2CYP1A1
SCHEMBL3193310 0.79 GSTP1 (0.64) GSTP1HDAC4HDAC2HDAC8GPR84
SCHEMBL20773998 0.79 ALDH1A1 (0.41) GSTP1HDAC8CYP1A2CYP1B1CA1
SCHEMBL2452059 0.78 ALDH1A1 (0.36) GPR84KDM4ECYP1A2CYP3A4CA1
SCHEMBL533267 0.77 PARP1 (0.35) KDM4ESMN1; SMN2

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-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US disclosed
EP-3676239-A1 BINAPHTHYL COMPOUNDS Reuter Chemische Apparatenbau e.K. (DE) 2020-07-08 EP disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 CN disclosed
WO-2019043060-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-03-07 WO disclosed
US-8568903-B2 Phenanthrene derivative, and material for organic EL element IDEMITSU KOSAN CO., LTD. (JP) 2013-10-29 US disclosed
US-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
EP-1640430-B1 Luminescent material and organic electroluminescent device using the same JNC CORP (JP) 2011-09-21 EP disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 US disclosed
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2010-12-30 US disclosed
EP-2177586-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2010-04-21 EP disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 US disclosed
US-20060110622-A1 Organic electroluminescent device LG ELECTRONICS, INC. (KR) 2006-05-25 US disclosed
EP-1640430-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-03-29 EP disclosed
CN-1735301-A Organic electroluminescent device LG ELECTRONICS INC (KR) 2006-02-15 CN disclosed
EP-1624501-A2 Organic electroluminescent device LG Electronics, Inc. (KR) 2006-02-08 EP disclosed
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same CHISSO CORPORATION (JP) 2006-01-19 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 (6 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S GSTP1 215/4885HDAC4 1521/4885HDAC2 3162/4885
US-20100327230-A1 PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT LEF1, AR, NR0B1 GSTP1 1702/4885HDAC4 1127/4885HDAC2 1500/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S GSTP1 215/4885HDAC4 1521/4885HDAC2 3162/4885
US-20060014046-A1 Luminescent material and organic electroluminescent device using the same C1S, EPB41, EPB41L2 GSTP1 3735/4885HDAC4 1013/4885HDAC2 2062/4885
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 GSTP1 800/4885HDAC4 4602/4885HDAC2 2452/4885
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 GSTP1 2969/4885HDAC4 1306/4885HDAC2 368/4885

“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.