SCHEMBL4435489

SCHEMBL4435489

Oc1ccc2nc3ccccc3cc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HPGD P15428 3/20 0.65
MAPT P10636 3/20 0.65
GLA P06280 2/20 0.65
ACHE P22303 1/20 0.65
CYP1A2 P05177 1/20 0.54
ESR2 Q92731 4/20 0.50
ESR1 P03372 3/20 0.50
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTR3A P46098 1/20 0.48
STAT3 P40763 1/20 0.48
AR P10275 1/20 0.46
NQO2 P16083 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43

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
SCHEMBL3044443 0.89 ESR2 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL11067469 0.87 ALDH1A1 (0.65) ALDH1A1HPGDMAPTGLAACHE
Hydrochloric Acid SCHEMBL28313625 0.85 ALDH1A1 (0.62) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL28005813 0.82 ALDH1A1 (0.71) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL8339 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL4972293 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL1772714 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL29352289 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL3045498 0.81 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL2367791 0.79 NQO2 (0.56) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102751-B Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2025-03-18 CN claimed
CN-116102751-A Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2023-05-12 CN claimed
CN-112452151-A Separation and enrichment method of lithium isotope 中国科学院青海盐湖研究所 2021-03-09 CN claimed
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US claimed
US-20060105410-A1 Sulfonate compound and fluorescent probe using the same OSAKA INDUSTRIAL PROMOTION ORGANIZATION (JP) 2006-05-18 US claimed
EP-1650200-A1 SULFONATE COMPOUND AND FLUORESCENT PROBE USING THE SAME Osaka Industrial Promotion Organization (JP) 2006-04-26 EP claimed
CN-116102751-B Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2025-03-18 CN disclosed
CN-116102751-B Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2025-03-18 CN disclosed
CN-112452151-B Separation and enrichment method of lithium isotopes 中国科学院青海盐湖研究所 2024-09-20 CN disclosed
CN-116102751-A Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2023-05-12 CN disclosed
CN-116102751-A Gel polymer electrolyte membrane for lithium isotope separation and preparation method and application thereof 中国科学院青海盐湖研究所 2023-05-12 CN disclosed
CN-109988106-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-03-31 CN disclosed
CN-112452151-A Separation and enrichment method of lithium isotope 中国科学院青海盐湖研究所 2021-03-09 CN disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
US-4622315-A AROMATIC NITRO COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1986-11-11 US disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP disclosed
US-4452792-A Acridine substituted phosphorus compounds and their insecticidal use VELSICOL CHEMICAL CORPORATION (US) 1984-06-05 US disclosed
US-4255597-A FROM PARTIALLY CHLORINATED CYCLOPENTADIENE IN LIQUID PHASE, PHENANTHROLINE OR 8-HYDROXYQUINOLINE TO REDUCE COKING VELSICOL CHEMICAL CORPORATION (US) 1981-03-10 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 (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-20060105410-A1 Sulfonate compound and fluorescent probe using the same BRS3, NCOA3, NR4A3 ALDH1A1 1764/4885HPGD 4765/4885MAPT 4674/4885
US-20060105412-A1 Sulfonate compound and fluorescent probe using the same SLCO1B3, CBR3, SLCO2B1 ALDH1A1 605/4885HPGD 4373/4885MAPT 4468/4885

“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.