Sugi Predict

Sugi Predict / Compounds / SCHEMBL4853854

SCHEMBL4853854

SCHEMBL4853854

c1ccc2cc3cc4c(cc3cc2c1)-c1cccc2cccc-4c12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.90
▸ HSD17B10 Q99714 8/20 0.90
▸ MAPK1 P28482 4/20 0.90
▸ TSHR P16473 4/20 0.90
▸ CASP1 P29466 4/20 0.90
▸ HPGD P15428 4/20 0.90
▸ CASP7 P55210 3/20 0.90
▸ HIF1A Q16665 3/20 0.90
▸ TP53 P04637 1/20 0.90
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ ATM Q13315 2/20 0.67
▸ CYP3A4 P08684 3/20 0.52
▸ PABPC1 P11940 3/20 0.52
▸ DNMT1 P26358 2/20 0.52
▸ CES1 P23141 2/20 0.48
▸ CES2 O00748 1/20 0.48
▸ BCHE P06276 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ TYMS P04818 2/20 0.44

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
Benzo(K)Fluoranthene SCHEMBL175484 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1
Benzo(K)Fluoranthene SCHEMBL29393074 0.95 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1
Fluoranthene SCHEMBL7921020 0.90 ALDH1A1 (0.83) ALDH1A1HSD17B10MAPK1TSHRCASP1
Pyrene SCHEMBL27541102 0.85 ALDH1A1 (0.75) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL14802028 0.85 ALDH1A1 (0.65) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL16931748 0.85 ALDH1A1 (0.72) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL3839468 0.84 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1TSHRCASP1
SCHEMBL23525587 0.81 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1
Naphthalene SCHEMBL15562939 0.81 ALDH1A1 (0.88) ALDH1A1HSD17B10MAPK1TSHRCASP1
Fluoranthene SCHEMBL8873541 0.81 ALDH1A1 (1.00) ALDH1A1HSD17B10MAPK1TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685517-A1 Polymer compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-12-06 — — EP claimed
EP-2882707-B1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND CANON KK (JP) 2017-03-08 — — EP disclosed
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS CANON KABUSHIKI KAISHA (JP) 2016-05-19 — — US disclosed
US-20150212450-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2015-07-30 — — US disclosed
CN-102951991-B Condensed polycyclic compound and organic light emitting element including the same CANON KK 2015-03-04 — — CN disclosed
US-8829502-B2 Condensed polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
CN-102951991-A Condensed polycyclic compound and organic light emitting element including the same CANON KK 2013-03-06 — — CN disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 — — US disclosed
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 — — US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 — — US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 — — US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 — — US disclosed
EP-0685517-A1 Polymer compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1995-12-06 — — EP 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 (3 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-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CCNE2, NFE2L2, CRY2 ALDH1A1 1007/4885HSD17B10 1089/4885MAPK1 2758/4885
US-20160141506-A1 NAPHTHO[2,1-b]FLUORANTHENE COMPOUND, ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, LIGHTING APPARATUS, IMAGE FORMING APPARATUS, AND EXPOSING APPARATUS NAP1L1, NR0B2, AFF1 ALDH1A1 479/4885HSD17B10 602/4885MAPK1 1117/4885
US-20150212450-A1 NOVEL FUSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE, DISPLAY APPARATUS, IMAGE INFORMATION PROCESSING APPARATUS, LIGHTING SYSTEM, AND IMAGE FORMING APPARATUS HAVING THE COMPOUND COG1, OCIAD1, COG6 ALDH1A1 657/4885HSD17B10 3179/4885MAPK1 356/4885

“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.