SCHEMBL5983902

SCHEMBL5983902

Oc1ccc2c[nH]cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ ESR1 P03372 7/20 0.46
▸ ESR2 Q92731 7/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ TYR P14679 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAD51 Q06609 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ FLT3 P36888 1/20 0.42

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
Hydrochloric Acid SCHEMBL27949369 0.97 CYP1A2 (0.48) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL29364786 0.76 CYP1A2 (0.77) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL69484 0.76 CYP1A2 (0.77) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL627219 0.76 CYP1A2 (0.77) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL29711 0.74 CYP1A2 (0.72) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL27845395 0.74 CYP1A2 (0.72) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL17311956 0.74 CYP1A2 (0.72) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL29358095 0.74 CYP1A2 (0.72) CYP1A2ESR1ESR2ALOX15CYP3A4
Hydroquinone SCHEMBL6689552 0.74 ESR2 (0.74) CYP1A2ESR1ESR2ALOX15CYP3A4
SCHEMBL10719214 0.71 CYP1A2 (0.68) CYP1A2ESR1ESR2ALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597733-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2023-03-07 — — US disclosed
CN-114920911-A Method for producing polyisothianaphthene-based conductive polymer 昭和电工株式会社 2022-08-19 — — CN disclosed
CN-110121516-B Method for producing polyisothianaphthene-based conductive polymer 昭和电工株式会社 2022-07-01 — — CN disclosed
US-11183340-B2 Method for manufacturing solid electrolytic capacitor SHOWA DENKO K.K. (JP) 2021-11-23 — — US disclosed
US-11136432-B2 Method for producing polyisothianaphthene-based electroconductive polymer SHOWA DENKO K.K. (JP) 2021-10-05 — — US disclosed
CN-110121757-B Method for manufacturing solid electrolytic capacitor 昭和电工株式会社 2021-09-14 — — CN disclosed
US-20200090874-A1 METHOD FOR MANUFACTURING SOLID ELECTROLYTIC CAPACITOR SHOWA DENKO K.K. (JP) 2020-03-19 — — US disclosed
US-20190345287-A1 METHOD FOR PRODUCING POLYISOTHIANAPHTHENE-BASED ELECTROCONDUCTIVE POLYMER SHOWA DENKO K.K. (JP) 2019-11-14 — — US disclosed
EP-3564976-A1 METHOD FOR MANUFACTURING SOLID ELECTROLYTIC CAPACITOR Showa Denko K.K. (JP) 2019-11-06 — — EP disclosed
EP-3564290-A1 METHOD FOR PRODUCING POLYISOTHIANAPHTHENE ELECTROCONDUCTIVE POLYMER Showa Denko K.K. (JP) 2019-11-06 — — EP disclosed
CN-101360756-A Methods and compositions for treating gastrointestinal disorders IRONWOOD PHARMACEUTICALS INC (US) 2009-02-04 — — CN disclosed
CN-1863513-A Abuse-proffed dosage form GRUENENTHAL GMBH (DE) 2006-11-15 — — CN disclosed
CN-1863514-A Abuse-proffed dosage form GRUENENTHAL GMBH (DE) 2006-11-15 — — CN disclosed
EP-1711465-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-10-18 — — EP disclosed
EP-1606233-B1 Phospholipid esters of Clofarabin HEIDELBERG PHARMA GMBH (DE) 2006-05-31 — — EP disclosed
WO-2005073191-A1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-08-11 — — WO disclosed
WO-2002062763-A2 INHIBITION OF RAF KINASE USING QUINOLYL ISOQUINOLYL OR PYRIDYL UREAS BAYER CORPORATION (US) 2002-08-15 — — WO disclosed
CN-1049891-C MDR reversal agents AMERICAN CYANAMID CO (US) 2000-03-01 — — CN disclosed
CN-1179418-A Novel cyloalkyl derivatives as inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 1998-04-22 — — CN disclosed
CN-1114650-A MDR reversal agents AMERICAN CYANAMID CO (US) 1996-01-10 — — CN 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-11597733-B2 Compounds and compositions for the treatment of parasitic diseases ABCB11, SQLE, FURIN CYP1A2 117/4885ESR1 4722/4885ESR2 4798/4885

“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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