SCHEMBL21299092

SCHEMBL21299092

CS1(C)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
PDE4B Q07343 1/20 0.38
MAPK1 P28482 3/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
SLC22A3 O75751 1/20 0.33
SLC6A4 P31645 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGS2 P35354 3/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
KMT2A Q03164 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL13777180 0.84 EGFR (0.37) ALDH1A1MAPK1HPGDMAPTHTT
SCHEMBL21338990 0.84 NPC1 (0.47) ALDH1A1TSHRMAPTNPSR1KMT2A
SCHEMBL28671593 0.80 ALDH1A1 (0.36) ALDH1A1PDE4BMAPK1HPGDMITF
SCHEMBL20610837 0.78 ALDH1A1 (0.35) ALDH1A1PDE4BMAPK1SLC22A2SLC22A1
SCHEMBL9351602 0.74 ALDH1A1 (0.40) ALDH1A1PDE4BMITFMAPTHTT
SCHEMBL1348770 0.74 ALDH1A1 (0.40) ALDH1A1PDE4BMAPK1MAPTHTT
SCHEMBL24023512 0.72 ALDH1A1 (0.40) ALDH1A1PDE4BMAPK1SLC22A2SLC22A1
SCHEMBL21338991 0.72 ALDH1A1 (0.38) ALDH1A1PDE4BMAPK1HPGDSLC22A2
SCHEMBL22025366 0.72 ALDH1A1 (0.38) ALDH1A1PDE4BMAPK1KMT2ANPC1
SCHEMBL10824269 0.70 MAPT (0.42) ALDH1A1PDE4BMAPTHTTNPSR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473627-A Ion sensor JAPAN SCIENCE & TECH AGENCY 2016-04-06 CN claimed
US-20240018299-A1 HYPERBRANCHED POLYBENZENE, PREPARATION METHOD AND USE THEREOF SOOCHOW UNIVERSITY (CN) 2024-01-18 US disclosed
US-11787907-B2 Polyvinyl thioether ester, preparation method therefor and use thereof SOOCHOW UNIVERSITY (CN) 2023-10-17 US disclosed
US-20190276735-A1 FINE FLUORESCENT PARTICLE CONTAINING AIE-ACTIVE COMPOUND NATIONAL UNIVERSITY CORPORATION SAITAMA UNIVERSITY (JP) 2019-09-12 US disclosed
US-10392342-B1 Use of aggregation-induced emission compounds in dispersion detecting of nanoparticles BOE TECHNOLOGY GROUP CO., LTD. (CN) 2019-08-27 US disclosed
CN-105473627-A Ion sensor JAPAN SCIENCE & TECH AGENCY 2016-04-06 CN disclosed
CN-104877665-A Luminescent material having aggregation-induced emission, method of making and application thereof UNIV HONG KONG SCIENCE & TECHN 2015-09-02 CN disclosed
CN-104877666-A Luminescent material having aggregation-induced emission, method of making and application thereof UNIV HONG KONG SCIENCE & TECHN 2015-09-02 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-10392342-B1 Use of aggregation-induced emission compounds in dispersion detecting of nanoparticles CD63, NCL, LGALS8 ALDH1A1 1004/4885PDE4B 2891/4885MAPK1 4712/4885

“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.