SCHEMBL27002179

SCHEMBL27002179

COc1cc(C=O)cc(OC)c1SCCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.40
▸ MAPT P10636 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ FDPS P14324 1/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ TRIM24 O15164 1/20 0.36
▸ ALDH5A1 P51649 1/20 0.36
▸ ABAT P80404 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ MAPK1 P28482 1/20 0.34
▸ BACE1 P56817 1/20 0.33
▸ AOX1 Q06278 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL27002052 0.96 ALDH1A1 (0.38) ALDH1A1MAPTHPGDL3MBTL1TSHR
Benzaldehyde SCHEMBL27002126 0.92 TTR (0.39) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002173 0.82 HTR2A (0.45) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002006 0.82 ALDH1A1 (0.43) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002188 0.81 HTR2A (0.44) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002121 0.81 VCP (0.48) ALDH1A1MAPTL3MBTL1TDP1MAPK1
SCHEMBL27138613 0.81 VCP (0.48) ALDH1A1MAPTL3MBTL1TDP1MAPK1
SCHEMBL27002045 0.81 ALDH1A1 (0.42) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002089 0.79 ALDH1A1 (0.41) ALDH1A1MAPTHPGDL3MBTL1TSHR
SCHEMBL27002017 0.78 ALDH1A1 (0.40) ALDH1A1MAPTHPGDL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2024-05-23 — — US disclosed
EP-4305019-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME Gilgamesh Pharmaceuticals, Inc. (US) 2024-01-17 — — EP disclosed
WO-2022192781-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME GILGAMESH PHARMACEUTICALS, INC. (US) 2022-09-15 — — WO 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-20240166618-A1 PHENALKYLAMINES AND METHODS OF MAKING AND USING THE SAME PNMT, HTR6, HTR2C ALDH1A1 1077/4885MAPT 596/4885HPGD 1337/4885

“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.

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