SCHEMBL24741309

SCHEMBL24741309

CC(C)CCOc1ccc2cc(O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ GAA P10253 4/20 0.46
▸ MGAM O43451 2/20 0.46
▸ SI P14410 2/20 0.46
▸ MGAM2 Q2M2H8 2/20 0.46
▸ PDK2 Q15119 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL10602019 0.85 TDP1 (0.58) TDP1MAPK1EPHX2GAAPDK2
1-Hydroxy-4-Isopentoxybenzene SCHEMBL2843554 0.83 TDP1 (0.66) TDP1MAPK1EPHX2GAAMGAM
SCHEMBL7619788 0.82 KDM4E (0.61) TDP1MAPK1PDK2RAB9ANPC1
SCHEMBL9146689 0.81 NPC1 (0.44) TDP1GAAADRB2RAB9ANPC1
SCHEMBL9146695 0.81 NPC1 (0.44) TDP1GAAADRB2RAB9ANPC1
1-Hydroxy-3-Isopentoxybenzene SCHEMBL2850085 0.81 CHRNB2 (0.60) TDP1MAPK1EPHX2PDK2
SCHEMBL9704804 0.80 LTA4H (0.61) GAARAB9ANPC1MEN1KMT2A
SCHEMBL8956159 0.80 LTA4H (0.61) TDP1MAPK1GAARAB9ANPC1
SCHEMBL4090434 0.79 TDP1 (0.51) TDP1MAPK1EPHX2PDK2MMP2
SCHEMBL2562275 0.79 TDP1 (0.47) TDP1MAPK1EPHX2GAAPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220388997-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF GANNEX PHARMA CO., LTD. (CN) 2022-12-08 — — 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-20220388997-A1 COMPOUNDS FOR MODULATING ACTIVITY OF FXR AND USES THEREOF NR1H4, FXR1, FXR2 TDP1 4815/4885MAPK1 1217/4885EPHX2 997/4885

“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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