SCHEMBL2268337

SCHEMBL2268337

[c]1ccc2c(-c3cccc4ccccc34)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
CYP2A6 P11509 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 2/20 0.38
PTPN1 P18031 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
HPGD P15428 3/20 0.37
CYP3A4 P08684 1/20 0.37
KEAP1 Q14145 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL6274844 0.94 ALDH1A1 (0.33) CYP1A2ALDH1A1TSHRHSD17B10HPGD
SCHEMBL2271084 0.88 ALDH1A1 (0.39) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL20774103 0.87 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL28981543 0.86 ALDH1A1 (0.38) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL152529 0.85 CYP1A2 (0.43) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL25413 0.85 ALDH1A1 (0.57) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL350813 0.84 NISCH (0.31) NISCH
SCHEMBL144462 0.84 TNF (0.44) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL27528926 0.83 ALDH1A1 (0.55) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6
SCHEMBL21295584 0.82 DHFR (0.39) CYP1A2ALDH1A1TSHRHSD17B10CYP2A6

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 CYP1A2 333/4885ALDH1A1 1476/4885TSHR 3380/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CYP1A2 333/4885ALDH1A1 1476/4885TSHR 3380/4885
US-20110193064-A1 DIAMINOPYRENE DERIVATIVE AND ORGANIC EL DEVICE USING THE SAME ELP1, EED, ESR1 CYP1A2 1772/4885ALDH1A1 237/4885TSHR 4845/4885

“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.