SCHEMBL9243142

SCHEMBL9243142

CCCCc1ccsc1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
PDE4A P27815 10/20 0.36
PDE4B Q07343 10/20 0.36
PDE4C Q08493 10/20 0.36
PDE4D Q08499 10/20 0.36
PDE3B Q13370 6/20 0.36
PDE3A Q14432 6/20 0.36
CTRC Q99895 1/20 0.35
GPR35 Q9HC97 1/20 0.34
LIPG Q9Y5X9 1/20 0.33
SKP2 Q13309 1/20 0.33

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
SCHEMBL28206657 0.94 TYR (0.42) TYRGPR35LIPG
SCHEMBL6512834 0.92 TYR (0.44) TYRGPR35LIPG
SCHEMBL9387066 0.92 TYR (0.44) TYRGPR35LIPG
SCHEMBL5960014 0.92 TYR (0.44) TYRGPR35LIPG
SCHEMBL6519706 0.92 TYR (0.44) TYRGPR35LIPG
SCHEMBL1521714 0.86
SCHEMBL20869442 0.80 TYR (0.39) TYRPDE4APDE4BPDE4CPDE4D
SCHEMBL15698360 0.79 NOS2 (0.33)
SCHEMBL366507 0.78 TYR (0.38) TYRPDE4APDE4BPDE4CPDE4D
SCHEMBL4457865 0.78 LTB4R (0.45) TYRPDE4APDE4BPDE4CPDE4D

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
US-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION FUJIFILM CORPORATION (JP) 2017-03-30 US disclosed
US-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION FUJIFILM CORPORATION (JP) 2017-03-30 US disclosed
CN-104937149-A Polyurethane fiber TORAY OPELONTEX CO LTD 2015-09-23 CN disclosed
EP-0670361-A1 Quaternary ammonium hydroxides as mercaptan scavengers PETROLITE CORPORATION (US) 1995-09-06 EP disclosed
US-4992534-A Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-12 US disclosed
US-4231786-A TO CROPS BY THIOLCARBAMATES, SAFENING AGENT MONSANTO COMPANY (US) 1980-11-04 US disclosed
US-4031256-A ORGANOLEPTIC, NUTTY TASTE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-06-21 US disclosed
US-3959509-A Flavoring foodstuffs using sulfur-containing compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-05-25 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 (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-20170092434-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, AND DYE SOLUTION CRY2, CRY1, MYL4 TYR 1462/4885PDE4A 4426/4885PDE4B 4136/4885

“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.