Sugi Predict

Sugi Predict / Compounds / SCHEMBL10246863

SCHEMBL10246863

SCHEMBL10246863

c1ccc2cc(N(c3ccc(-c4cccc5cc6ccccc6cc45)cc3)c3ccc(-c4cccc5cc6ccccc6cc45)cc3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.37
▸ HSD17B1 P14061 2/20 0.35
▸ HSD17B2 P37059 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ACMSD Q8TDX5 1/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL28202678 0.91 GSTP1 (0.39) GSTP1HSD17B1HSD17B2HDAC8HDAC4
SCHEMBL31534001 0.90 ALDH1A1 (0.38) HSD17B1HSD17B2ALDH1A1HIF1AHSD17B10
SCHEMBL5552277 0.90 ALDH1A1 (0.38) HSD17B1HSD17B2ALDH1A1HIF1AHSD17B10
SCHEMBL24634296 0.89 CA12 (0.40) HSD17B1HSD17B2ALDH1A1HIF1AHSD17B10
SCHEMBL27546117 0.89 ALDH1A1 (0.37) HSD17B1HSD17B2ALDH1A1HIF1AHSD17B10
SCHEMBL9612480 0.87 ALDH1A1 (0.42) HSD17B1HSD17B2HDAC8ALDH1A1HIF1A
SCHEMBL14188188 0.87 CA12 (0.46) GSTP1HDAC8MCL1ACMSDCA12
SCHEMBL14490052 0.87 CA12 (0.46) GSTP1HDAC8MCL1ACMSDCA12
SCHEMBL10022923 0.86 ALDH1A1 (0.41) HSD17B1HSD17B2HDAC8ALDH1A1HIF1A
SCHEMBL29703107 0.86 HSD17B1 (0.39) GSTP1HSD17B1HSD17B2ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865323-B2 Biscarbazole derivative, material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 — — US disclosed
US-8865323-B2 Biscarbazole derivative, material for organic electroluminescence device and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-10-21 — — US disclosed
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2012-06-07 — — US disclosed
US-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. 2012-06-07 — — 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-20120138912-A1 BISCARBAZOLE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME UQCRB, OXA1L, HBS1L GSTP1 1189/4885HSD17B1 1601/4885HSD17B2 1947/4885

“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.