Sugi Predict

Sugi Predict / Compounds / SCHEMBL513014

SCHEMBL513014

SCHEMBL513014

Sc1cccc2cc3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 6/20 0.44
▸ HIF1A Q16665 4/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ ACHE P22303 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ CES1 P23141 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ NQO1 P15559 1/20 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
SCHEMBL28471051 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL28476808 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL29390672 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL14354302 0.98 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL29226502 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A
Hydrogen Sulfide SCHEMBL28520895 0.89 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHSD17B10HIF1A
Alcohol SCHEMBL23929050 0.88 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHSD17B10HIF1A
Propanol SCHEMBL28407382 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL27520658 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL5897040 0.82 CYP1A2 (0.48) ALDH1A1KDM4EGAAHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118291044-A Reversible acrylate adhesive with excellent secondary bonding strength, and preparation method, using method and application thereof 郑州大学 2024-07-05 — — CN claimed
CN-117210138-A Reusable acrylate adhesive 广东光固新材料有限公司 2023-12-12 — — CN claimed
CN-113651836-A Organic compound and organic electroluminescent device containing same 清华大学 2021-11-16 — — CN claimed
CN-112462151-A High-sensitivity electric field detector based on molecular device 彭彦莉 2021-03-09 — — CN claimed
CN-110746425-B Organic compound and application thereof 清华大学 2020-12-01 — — CN claimed
CN-111943949-A Organic compound, application thereof and organic electroluminescent device containing organic compound 清华大学 2020-11-17 — — CN claimed
CN-111564551-A Current-adjustable molecular electronic device 金华伏安光电科技有限公司 2020-08-21 — — CN claimed
CN-111551270-A Ultra-sensitive temperature sensor based on molecular device 金华伏安光电科技有限公司 2020-08-18 — — CN claimed
CN-111551879-A Weak magnetic field detector based on molecular device 金华伏安光电科技有限公司 2020-08-18 — — CN claimed
CN-111537572-A Molecular device gas sensor 金华伏安光电科技有限公司 2020-08-14 — — CN claimed
CN-111537473-A Surface plasmon enhanced molecular device gas sensor 金华伏安光电科技有限公司 2020-08-14 — — CN claimed
CN-111413369-A Humidity sensor based on molecular device 金华伏安光电科技有限公司 2020-07-14 — — CN claimed
CN-110746425-A Novel organic compound and application thereof 清华大学 2020-02-04 — — CN claimed
CN-110684050-A Preparation method and application of 7-position vinyl substituted osmium heteropentadiyne 厦门大学 2020-01-14 — — CN claimed
CN-106543232-B Metal bridge location fused ring compound and its preparation method and application 厦门大学 2019-01-11 — — CN claimed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 — — US claimed
CN-108578364-A Conjugate, target tumor active oxygen response medicament-carried nano micelle and preparation method and application 天津医科大学口腔医院 2018-09-28 — — CN claimed
WO-2017064243-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN GAS SENSORS BASF SE (DE) 2017-04-20 — — WO claimed
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 — — US claimed
US-20120010021-A1 GOLF BALL SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-01-12 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 ALDH1A1 716/4885KDM4E 1644/4885GAA 4706/4885
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ALDH1A1 761/4885KDM4E 2337/4885GAA 4040/4885

“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.