SCHEMBL13240143

SCHEMBL13240143

Cc1cccc(Oc2ccc(CCCI)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ FFAR1 O14842 2/20 0.49
▸ HTT P42858 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ACHE P22303 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ AR P10275 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ FDFT1 P37268 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ MMP14 P50281 1/20 0.38

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
SCHEMBL14159532 0.87 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL22277900 0.82 ALDH1A1 (0.59) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL9673186 0.81 FFAR1 (0.55) ALDH1A1FFAR1FDFT1LTA4H
SCHEMBL9889554 0.81 ALDH1A1 (0.67) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL9889449 0.81 ALDH1A1 (0.57) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL10013918 0.80 ALDH1A1 (0.65) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL3309069 0.80 ALDH1A1 (0.45) ALDH1A1FFAR1HTTTDP1L3MBTL1
SCHEMBL14159539 0.79 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1ACHE
SCHEMBL10013917 0.79 ALDH1A1 (0.80) ALDH1A1HTTTDP1L3MBTL1ACHE
SCHEMBL1563176 0.79 FDFT1 (0.38) ALDH1A1FFAR1HTTFDFT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763752-B2 Amino alcohol derivatives, salts thereof and immunosuppresive agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-27 — — US disclosed
US-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents KOHNO YASUSHI 2009-06-18 — — 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-20090156653-A1 Amino alcohol derivatives, salts thereof and immunosuppresive agents ADH1A, TPMT, AADAT ALDH1A1 38/4885FFAR1 2145/4885HTT 4710/4885

“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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