Sugi Predict

Sugi Predict / Compounds / SCHEMBL4071992

SCHEMBL4071992

SCHEMBL4071992

c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2ccc(-c4ccc5ccccc5c4)c4cccc-3c24)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ GSTP1 P09211 1/20 0.42
▸ GPR84 Q9NQS5 1/20 0.42
▸ HSD17B1 P14061 2/20 0.40
▸ HSD17B2 P37059 2/20 0.40
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1B1 Q16678 1/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ MET P08581 1/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HIF1A Q16665 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 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
SCHEMBL4080731 0.98 HSD17B1 (0.42) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL4074215 0.94 ESR2 (0.41) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL11992114 0.92 CYP1A1 (0.40) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL13085146 0.90 HDAC4 (0.40) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL14226906 0.90 ENPP1 (0.40) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL11992216 0.90 CYP1A1 (0.39) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL3220300 0.89 CYP2A6 (0.39) HDAC4HDAC2HDAC8GSTP1GPR84
SCHEMBL13430423 0.89 ESR2 (0.51) HDAC4HDAC2HDAC8HSD17B1HSD17B2
SCHEMBL13854881 0.89 TNF (0.48) ADORA2AADORA1MET
SCHEMBL21643664 0.89 MCL1 (0.43) HDAC4HDAC2HDAC8GSTP1GPR84

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
EP-2085371-B1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION IDEMITSU KOSAN CO (JP) 2015-10-07 — — EP disclosed
US-9120748-B2 Fluoranthene compound, organic electroluminescence device using the same, and solution containing organic electroluminescence material IDEMITSU KOSAN CO., LTD. (JP) 2015-09-01 — — US disclosed
EP-2085371-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE USING THE FLUORANTHENE COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL-CONTAINING SOLUTION Idemitsu Kosan Co., Ltd. (JP) 2009-08-05 — — EP disclosed
US-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL IDEMITSU KOSAN CO., LTD. (JP) 2009-01-15 — — 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-20090015144-A1 FLUORANTHENE COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME, AND SOLUTION CONTAINING ORGANIC ELECTROLUMINESCENCE MATERIAL LEF1, ESD, AFF2 HDAC4 4663/4885HDAC2 3870/4885HDAC8 3637/4885

“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.