SCHEMBL25229798

SCHEMBL25229798

COCCCCCCCCCCCCCCCC1=C(C)CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPA1 O75762 3/20 0.39
ACE2 Q9BYF1 4/20 0.37
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
RARA P10276 1/20 0.37
RXRA P19793 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
ACHE P22303 1/20 0.33
CYP1A2 P05177 1/20 0.30

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
SCHEMBL3390707 0.81 RARB (0.44) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL9266425 0.80 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL7017316 0.80 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL7185668 0.80 ALDH1A1 (0.45) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL11492167 0.80 ALDH1A1 (0.43) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL3186206 0.78 ALDH1A1 (0.44) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL17448809 0.76 RARB (0.41) ALDH1A1GAAMAPTNPSR1TRPA1
SCHEMBL9261732 0.76 PPARG (0.36) TRPA1ACE2PDCD1CD274RARB
SCHEMBL25270009 0.75 TRPA1 (0.41) MAPTTRPA1ALOX15
SCHEMBL25221473 0.75 TRPA1 (0.41) MAPTTRPA1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-21 US disclosed
US-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-21 US disclosed
US-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-21 US disclosed
WO-2023153422-A1 CRYSTAL FORM OF CYCLOHEXENONE COMPOUND 大鵬薬品工業株式会社 2023-08-17 WO disclosed
EP-4194435-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2023-06-14 EP 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-20230295068-A1 NOVEL CYCLOALKENONE COMPOUND OR SALT THEREOF BDNF, SMN1; SMN2, ELAVL1 ALDH1A1 1225/4885GAA 1989/4885MAPT 196/4885

“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.