SCHEMBL20230728

SCHEMBL20230728

CC1(C)OB(c2ccc3c(c2)Oc2cc(Br)ccc2O3)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.55
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
EGFR P00533 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL10074112 0.90 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL10074115 0.90 LPL (0.48) LPLLIPGCA1CA2CA9
SCHEMBL47074 0.85 LPL (0.53) AHRLPLLIPGCA1CA2
SCHEMBL16426149 0.83 LPL (0.38) AHRLPLLIPGCA1CA2
SCHEMBL12683242 0.83 AHR (0.39) AHRLPLLIPGCA1CA2
SCHEMBL20230731 0.81 LPL (0.38) AHRLPLLIPGCA1CA2
SCHEMBL17871063 0.81 LPL (0.56) LPLLIPGCA1CA2CA9
SCHEMBL16327687 0.80 LIPG (0.42) AHRLPLLIPGEGFR
SCHEMBL30914607 0.78 LPL (0.53) LPLLIPGCA1CA2CA9
SCHEMBL15586414 0.78 LPL (0.53) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-07 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 (1 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-20180159050-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNE2, CCNT1 AHR 3189/4885LPL 2281/4885LIPG 3141/4885

“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.