SCHEMBL22912586

SCHEMBL22912586

Cc1ccc2c(ccc3cc(I)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.52
CYP2A6 P11509 6/20 0.52
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.44
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
NQO2 P16083 1/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TYMS P04818 1/20 0.34

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
SCHEMBL8267877 0.88 CYP1A2 (0.68) CYP1A2CYP2A6LMNAALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27937791 0.86 CYP2A6 (0.65) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL8292348 0.86 CYP1A2 (0.70) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL1419169 0.85 NOS1 (0.39) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL607927 0.85 CYP1A2 (0.71) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL20388831 0.85 LMNA (0.42) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL18459131 0.84 CYP1A2 (0.62) CYP1A2CYP2A6LMNAALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL27937788 0.84 CYP2A6 (0.67) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL19020457 0.84 CYP1A2 (0.62) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL12260029 0.83 HPRT1 (0.41) CYP1A2CYP2A6ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023100844-A1 COMPOUND AND PHOTOELECTRIC CONVERSION ELEMENT EMPLOYING SAME 住友化学株式会社 2023-06-08 WO disclosed
US-20210028367-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-28 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-20210028367-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CRY1, AHR CYP1A2 12/4885CYP2A6 565/4885LMNA 960/4885

“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.