SCHEMBL21707063

SCHEMBL21707063

CC1Nc2ccc(I)cc2O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.33
TGM2 P21980 1/20 0.32
CES1 P23141 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
PRNP P04156 1/20 0.30

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
SCHEMBL17385026 0.85 P2RY6 (0.36) P2RY6BRD4CREBBP
SCHEMBL7922402 0.78 CREBBP (0.39) BRD4CREBBP
SCHEMBL21377402 0.77 RAF1 (0.37) TGM2CES1
SCHEMBL20708104 0.77 PGR (0.40)
SCHEMBL69968 0.74 KIF11 (0.36) BRD4CREBBP
SCHEMBL6097831 0.71 PARP1 (0.50) BRD4CREBBP
SCHEMBL10514925 0.70 ALDH1A1 (0.46)
SCHEMBL7914323 0.67 BRD4 (0.50) BRD4CREBBP
SCHEMBL7923079 0.64 UHRF1 (0.35)
SCHEMBL70925 0.63 GAA (0.34) BRD4CREBBP

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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-13 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-20200052223-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 P2RY6 3089/4885TGM2 1362/4885CES1 2160/4885

“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.