SCHEMBL2198488

SCHEMBL2198488

Brc1ccc2c3c(cccc13)-c1cc3ccccc3cc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 2/20 0.57
CASP1 P29466 2/20 0.57
HIF1A Q16665 2/20 0.57
TP53 P04637 1/20 0.57
CASP7 P55210 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
HKDC1 Q2TB90 1/20 0.49
CYP1B1 Q16678 13/20 0.46
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL30990840 1.00 CYP1A2 (0.59) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL20598536 0.86 CYP1A2 (0.61) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL30345509 0.86 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL663504 0.86 CYP1A2 (0.63) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL12025752 0.85 CYP1A2 (0.49) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL27657670 0.84 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
Fluoranthene SCHEMBL27657669 0.84 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL8010799 0.84 ALDH1A1 (0.67) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL20259109 0.81 CYP1A2 (0.51) CYP1A2ALDH1A1TSHRMAPK1HSD17B10
SCHEMBL12200333 0.81 ALDH1A1 (0.56) CYP1A2ALDH1A1TSHRMAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165140-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2023-05-25 US disclosed
US-7977869-B2 Organic luminescent device and benzo[k]fluoranthene compound CANON KABUSHIKI KAISHA (JP) 2011-07-12 US disclosed
US-20090278447-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[k]FLUORANTHENE COMPOUND CANON KABUSHIKI KAISHA (JP) 2009-11-12 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 (2 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-20230165140-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, TMEM109, TRPA1 CYP1A2 19/4885ALDH1A1 29/4885TSHR 4824/4885
US-20090278447-A1 ORGANIC LUMINESCENT DEVICE AND BENZO[k]FLUORANTHENE COMPOUND FOXK1, KCNK10, F10 CYP1A2 1124/4885ALDH1A1 1170/4885TSHR 3741/4885

“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.