SCHEMBL29628855

SCHEMBL29628855

c1ccc2c(c1)ccc1[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 4/20 0.55
CYP2A6 P11509 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPRT1 P00492 3/20 0.50
AHR P35869 2/20 0.50
TRPA1 O75762 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
ADK P55263 1/20 0.50
PARP1 P09874 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL280428 1.00 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL3636507 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Iodide SCHEMBL6832071 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Hydrochloric Acid SCHEMBL7799642 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Bromide SCHEMBL7761036 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL10356869 0.96 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
Water SCHEMBL10356864 0.96 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL30713692 0.96 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL2126075 0.96 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL29444130 0.96 HPRT1 (0.58) ALDH1A1HSD17B10CYP2A6TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146635-A1 USE OF PHOTOINITIATOR COMPOSITION IN PHOTOPOLYMERIZATION AT WAVELENGTH OF 200 NM TO LESS THAN 700 NM 湖北固润科技股份有限公司 2024-07-11 WO claimed
CN-115028572-B Carbazole benzo [ e ] indole hybrid compound, and preparation method and application thereof 南通大学 2024-02-20 CN claimed
EP-4314167-A1 PROCESS FOR PREPARING INDOCYANINE GREEN Icrom Srl (IT) 2024-02-07 EP claimed
EP-3188764-B1 POLYMER AND CONTRAST AGENT FOR PHOTOACOUSTIC IMAGING INCLUDING THE POLYMER CANON KK (JP) 2023-08-23 EP claimed
CN-114507239-B Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2023-07-25 CN claimed
EP-3120392-B1 TRANSPARENT ENERGY-HARVESTING DEVICES UNIV MICHIGAN STATE (US) 2022-10-19 EP claimed
WO-2022200991-A1 PROCESS FOR PREPARING INDOCYANINE GREEN ICROM SRL (IT) 2022-09-29 WO claimed
CN-115028572-A Carbazole benzo [ e ] indole heterozygote and preparation method and application thereof 南通大学 2022-09-09 CN claimed
CN-114507239-A Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2022-05-17 CN claimed
CN-113402514-B Organic dye compound and preparation method and application thereof 南方医科大学 2022-05-03 CN claimed
US-20260117071-A1 ICG LIPID DERIVATIVE, AND LIPID MICROPARTICLES EACH CONTAINING SAME NATIONAL UNIVERSITY CORPORATION HAMAMATSU UNIVERSITY SCHOOL OF MEDICINE (JP) 2026-04-30 US disclosed
US-12516386-B2 Kit for the quantification of Faecalibacterium prausnitzii phylogroup I and/or phylogroup II members and the use thereof as biomarkers UNIVERSITAT DE GIRONA (ES) 2026-01-06 US disclosed
US-20250340739-A1 CRYSTALLINE INDOCYANINE GREEN AND METHOD FOR THE PRODUCTION THEREOF PROVEPHARM LIFE SOLUTIONS (FR) 2025-11-06 US disclosed
CN-120887890-A Spiro pyridine derivative cyanine probe with aggregation-induced emission characteristic, and preparation method and application thereof 郑州大学 2025-11-04 CN disclosed
CN-112782935-B Resist composition and pattern forming method 信越化学工业株式会社 2025-05-20 CN disclosed
CN-115028572-A Carbazole benzo [ e ] indole heterozygote and preparation method and application thereof 南通大学 2022-09-09 CN disclosed
CN-115028572-A Carbazole benzo [ e ] indole heterozygote and preparation method and application thereof 南通大学 2022-09-09 CN disclosed
CN-114507239-A Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2022-05-17 CN disclosed
CN-114507239-A Spiropyran N-amphetamine compound colorimetric probe for detecting copper ions and preparation method thereof 常州大学 2022-05-17 CN disclosed
CN-113402514-B Organic dye compound and preparation method and application thereof 南方医科大学 2022-05-03 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-20260117071-A1 ICG LIPID DERIVATIVE, AND LIPID MICROPARTICLES EACH CONTAINING SAME LDLR, CHMP4B, CETP ALDH1A1 920/4885HSD17B10 423/4885CYP2A6 898/4885

“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.