SCHEMBL18880907

SCHEMBL18880907

Cc1c2ccccc2cc2ccc(I)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.47
▸ CYP2A6 P11509 5/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ HPGD P15428 3/20 0.44
▸ HIF1A Q16665 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.41
▸ MAOA P21397 2/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ AHR P35869 1/20 0.38

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
SCHEMBL119090 0.82 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29360084 0.82 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Hydrogen Sulfide SCHEMBL27306888 0.80 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28178967 0.80 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL27879112 0.80 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL11618209 0.79 MAOA (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL6891640 0.79 CYP1A2 (0.48) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL16755458 0.76 ALDH1A1 (0.64) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL5749936 0.76 HSD17B10 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL1527553 0.74 ALDH1A1 (0.61) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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 2738/4885CYP2A6 3848/4885TSHR 4783/4885
US-10020454-B2 Material for organic electroluminescence device and organic electroluminescence device using the same PPOX, EPCAM, STOM CYP1A2 2738/4885CYP2A6 3848/4885TSHR 4783/4885

“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.

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