SCHEMBL10000556

SCHEMBL10000556

Cc1c(OBO)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.53
CYP2A6 P11509 4/20 0.48
TSHR P16473 3/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.44
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
HIF1A Q16665 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL218881 0.78 CYP2A6 (0.58) NCEH1CYP2A6TSHRCYP1A2MAPT
SCHEMBL10000595 0.77 CLK1 (0.39) NCEH1
SCHEMBL25205 0.76 MAPT (0.67) NCEH1CYP2A6TSHRCYP1A2MAPT
SCHEMBL11959676 0.76 KDM4E (0.52) TSHRCYP1A2HSD17B10HPGDMAPK1
SCHEMBL3147510 0.76 ALOX5 (0.51) NCEH1CYP2A6TSHRCYP1A2MAPT
SCHEMBL24299849 0.75 NCEH1 (0.57) NCEH1CYP2A6TSHRCYP1A2MAPT
SCHEMBL11337387 0.74 HTR1B (0.50) NCEH1CYP2A6TSHRCYP1A2L3MBTL1
SCHEMBL22738183 0.74 HTR1B (0.50) NCEH1CYP2A6TSHRCYP1A2L3MBTL1
SCHEMBL19080432 0.74 TSHR (0.48) NCEH1CYP2A6TSHRCYP1A2MAPT
SCHEMBL26445243 0.74 ALDH1A1 (0.43) CYP2A6TSHRCYP1A2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12022727-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-06-25 US disclosed
US-20170194571-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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 (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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 NCEH1 2418/4885CYP2A6 501/4885TSHR 2320/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 NCEH1 2418/4885CYP2A6 501/4885TSHR 2320/4885
US-12022727-B2 Organic electroluminescent materials and devices OCIAD1, OSBP, OCIAD2 NCEH1 724/4885CYP2A6 2038/4885TSHR 3669/4885
US-20170194571-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNA1 NCEH1 1108/4885CYP2A6 1716/4885TSHR 4409/4885

“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.