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Sugi Predict / Compounds / SCHEMBL1189043

SCHEMBL1189043

SCHEMBL1189043

O=C(O)c1ccc2c3cccc4cccc(c5ccc(C(=O)OC(=O)c6ccc7c8cccc9cccc(c%10ccc(C(=O)O)c6c%107)c98)c1c25)c43

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ WDR5 P61964 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ LDHA P00338 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ TSHR P16473 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
SCHEMBL235518 0.90 HSD17B10 (0.57) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL27568692 0.90 HSD17B10 (0.57) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL30423759 0.90 HSD17B10 (0.57) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL2804453 0.89 CYP1A2 (0.47) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL2434013 0.88 CYP1A2 (0.58) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL28009713 0.88 HSD17B10 (0.45) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL28009711 0.88 HSD17B10 (0.45) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL200282 0.83 CYP1A2 (0.41) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL301592 0.83 HSD17B10 (0.62) HSD17B10CYP1A2NR4A1NR4A2NR4A3
SCHEMBL10350464 0.83 CYP1A2 (0.44) HSD17B10CYP1A2NR4A1NR4A2NR4A3

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118005811-A Responsive room-temperature phosphorescent polymer material, and preparation method and application thereof 中国科学院化学研究所 2024-05-10 — — CN claimed
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 — — EP claimed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 — — US claimed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 — — US claimed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 — — US claimed
CN-100400514-C 9-cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AG (DE) 2008-07-09 — — CN claimed
EP-1019388-B1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES CIBA SC HOLDING AG (CH) 2007-03-14 — — EP claimed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 — — US claimed
CN-1681792-A 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AG (DE) 2005-10-12 — — CN claimed
EP-0657436-B1 Process for the preparation of perylene-3,4-dicarboxylic acid derivatives CIBA SC HOLDING AG (CH) 2001-12-12 — — EP claimed
EP-1019388-A1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES Ciba SC Holding AG (CH) 2000-07-19 — — EP claimed
US-5981773-A REACTING A CORRESPONDING PERYLENE-3,4:9,10-TETRACARBOXYLIC DIANHYDRIDE WITH A STERICALLY HINDERED AMINE, AS A BASE, AT AN ELEVATED TEMPERATURE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-09 — — US claimed
WO-1998031678-A1 PREPARATION OF PERYLENE-3,4-DICARBOXYLIC ANHYDRIDES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-07-23 — — WO claimed
JP-10204076-A — — None — — JP disclosed
CN-118005811-A Responsive room-temperature phosphorescent polymer material, and preparation method and application thereof 中国科学院化学研究所 2024-05-10 — — CN disclosed
US-20200172489-A1 FLUORESCENT COMPOUND AND AUTOPHAGY DETECTION REAGENT USING SAME DOJINDO LABORATORIES (JP) 2020-06-04 — — US disclosed
EP-0854144-A1 Preparation of perylen-3,4-dicarboxylacid anhydrides Ciba SC Holding AG (CH) 1998-07-22 — — EP disclosed
US-5650513-A Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
US-5650513-A Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
EP-0657436-A2 Process for the preparation of perylene-3,4-dicarboxylic acid derivatives, the compounds prepared according to this process and their use CIBA-GEIGY AG (CH) 1995-06-14 — — 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-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 HSD17B10 728/4885CYP1A2 800/4885NR4A1 2159/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 HSD17B10 229/4885CYP1A2 607/4885NR4A1 24/4885
US-20200172489-A1 FLUORESCENT COMPOUND AND AUTOPHAGY DETECTION REAGENT USING SAME NR2E3, GPR6, ATG13 HSD17B10 737/4885CYP1A2 2689/4885NR4A1 9/4885

“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.