SCHEMBL2267372

SCHEMBL2267372

[c]1cc2ccccc2cc1-c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALOX5 P09917 1/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 1/20 0.41
CYP1A2 P05177 5/20 0.40
CYP11B1 P15538 3/20 0.40

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
SCHEMBL2257365 0.83 ALDH1A1 (0.35) ESR1ESR2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL6163163 0.82 CYP2A6 (0.37) ALDH1A1KDM4EMAPTCYP1A2CA1
SCHEMBL2448879 0.78 ESR1 (0.48) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL2254069 0.75 ALDH1A1 (0.35) ESR1ESR2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL948858 0.75 GSTP1 (0.45) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL18127640 0.75 ALDH1A1 (0.35) ESR1ESR2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL28596752 0.75 HSD17B1 (0.47) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL3089094 0.74 HSD17B1 (0.50) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL15902840 0.74 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1
SCHEMBL5013872 0.74 ESR1 (0.71) GSTP1ESR1ESR2ALOX5HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
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-8512878-B2 Diaminopyrene derivative and organic EL device using the same IDEMITSU KOSAN CO., LTD. (JP) 2013-08-20 US disclosed
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2011-08-11 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S GSTP1 215/4885ESR1 1934/4885ESR2 1711/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S GSTP1 215/4885ESR1 1934/4885ESR2 1711/4885
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 GSTP1 800/4885ESR1 3/4885ESR2 20/4885

“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.