SCHEMBL20964346

SCHEMBL20964346

C[n+]1ccc(CCI)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
SLC6A4 P31645 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
CHAT P28329 2/20 0.34
PABPC1 P11940 1/20 0.34
APOBEC3A P31941 1/20 0.34
EIF4H Q15056 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACHE P22303 2/20 0.33
BCHE P06276 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
SCHEMBL13321315 0.86 HDAC8 (0.48) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL13595076 0.81 HDAC8 (0.43) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL13385229 0.79 HTR2A (0.46) HDAC8ALDH1A1HSD17B10SLC22A2SLC22A1
SCHEMBL9601488 0.79 TAAR1 (0.61) HDAC8ALDH1A1TAAR1
SCHEMBL5297353 0.79 LPL (0.43) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL10475330 0.78 HDAC8 (0.42) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL10266177 0.77 TDP1 (0.50) HDAC8ALDH1A1SLC22A2SLC22A1SLC22A3
SCHEMBL9601478 0.77 HDAC8 (0.40) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL15965175 0.77 HDAC8 (0.40) HDAC8SLC22A2SLC22A1SLC22A3SLC6A4
Iodide SCHEMBL4410703 0.77 HTR2A (0.45) HDAC8ALDH1A1HSD17B10SLC6A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND FUJIFILM CORPORATION (JP) 2024-01-25 US disclosed
US-20220389016-A1 COMPOUND AND METHOD FOR PRODUCING COMPOUND FUJIFILM CORPORATION (JP) 2022-12-08 US disclosed
US-20220213104-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 US disclosed
US-20190131546-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, COMPOUND, ORGANIC THIN FILM TRANSISTOR-FORMING COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR FUJIFILM CORPORATION (JP) 2019-05-02 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 (4 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-20190131546-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, COMPOUND, ORGANIC THIN FILM TRANSISTOR-FORMING COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR OSTC, FTO, PORCN HDAC8 4490/4885ALDH1A1 3800/4885HPGD 4807/4885
US-20220389016-A1 COMPOUND AND METHOD FOR PRODUCING COMPOUND DHPS, AZI2, CYP51A1 HDAC8 452/4885ALDH1A1 928/4885HPGD 1199/4885
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND INF2, NISCH, ITPA HDAC8 1950/4885ALDH1A1 2802/4885HPGD 930/4885
US-20220213104-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND INF2, NISCH, ITPA HDAC8 1950/4885ALDH1A1 2802/4885HPGD 930/4885

“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.