SCHEMBL18880908

SCHEMBL18880908

Cc1cccc2cc3ccc(I)cc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.55
ALDH1A1 P00352 7/20 0.55
HSD17B10 Q99714 4/20 0.55
HPGD P15428 2/20 0.55
CYP2A6 P11509 6/20 0.50
TDP1 Q9NUW8 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HIF1A Q16665 2/20 0.34
CYP1B1 Q16678 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
AHR P35869 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL24787587 1.00 CYP1A2 (0.55) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL18810167 0.84 CYP1A2 (0.63) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL18630461 0.84 CYP1A2 (0.63) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL1309620 0.84 CYP1A2 (0.67) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL890047 0.84 CYP1A2 (0.67) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL5400012 0.84 CYP1A2 (0.67) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL130783 0.82 CYP1A2 (0.69) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL9764735 0.81 CYP1A2 (0.70) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL27905506 0.81 CYP1A2 (0.70) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL6764197 0.81 CYP1A2 (0.70) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6

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-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2022-12-22 US disclosed
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2018-07-10 US disclosed
US-9660203-B2 Material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2017-05-23 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-20220407018-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME PPOX, EPCAM, STOM CYP1A2 2738/4885ALDH1A1 1724/4885HSD17B10 2799/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM CYP1A2 2738/4885ALDH1A1 1724/4885HSD17B10 2799/4885

“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.