SCHEMBL21888145

SCHEMBL21888145

c1ccc2c(c1)ccc1c3ccccc3c3cc4c(cc3c21)[nH]c1ccccc14

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.58
▸ KIF11 P52732 10/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GPR3 P46089 1/20 0.45
▸ TOP2A P11388 1/20 0.44
▸ CDK4 P11802 3/20 0.43
▸ CCND1 P24385 3/20 0.43
▸ CCNB2 O95067 1/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ PRKCG P05129 1/20 0.41
▸ PRKCB P05771 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CCNB1 P14635 1/20 0.41
▸ PRKCA P17252 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ MAP3K9 P80192 1/20 0.41
▸ MAP3K11 Q16584 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
SCHEMBL17072697 0.82 AHR (0.86) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL16195631 0.82 AHR (0.86) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL16290400 0.82 AHR (0.86) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL31453782 0.82 AHR (0.86) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL17864134 0.81 AHR (0.59) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL17864133 0.81 AHR (0.64) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL17228823 0.81 AHR (0.64) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL24275420 0.80 AHR (0.57) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL30504854 0.80 CDK4 (0.57) AHRKIF11ALDH1A1HSD17B10GPR3
SCHEMBL24806931 0.80 CDK4 (0.57) AHRKIF11ALDH1A1HSD17B10GPR3

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
US-11111244-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2021-09-07 — — US disclosed
US-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-04-09 — — 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-20200109138-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME SLCO4C1, PIEZO1, TRPC6 AHR 3190/4885KIF11 3201/4885ALDH1A1 1836/4885
US-11111244-B2 Organic compound and organic electroluminescence device using the same SLCO4C1, PIEZO1, TRPC6 AHR 3190/4885KIF11 3201/4885ALDH1A1 1836/4885

“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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