SCHEMBL22699596

SCHEMBL22699596

CC(C)c1ccc(NCC2CCCOC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ MAPK1 P28482 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CNR2 P34972 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ POLB P06746 1/20 0.37

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
SCHEMBL12160709 0.91 ALDH1A1 (0.44) EPHX1EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL22680868 0.80 CNR2 (0.41) EPHX1EPHX2MAPK1ALDH1A1GAA
SCHEMBL23993618 0.80 EPHX1 (0.51) EPHX1EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL17480811 0.78 KCNH2 (0.41) EPHX1EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL10994631 0.77 CCNT1 (0.49) SMN1; SMN2CNR2KCNH2CCNT1CDK9
SCHEMBL21163853 0.74 MAPT (0.42) MAPK1ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL12176285 0.74 MAPT (0.42) MAPK1ALDH1A1GAAL3MBTL1KDM4E
SCHEMBL11935221 0.73 EPHX1 (0.46) EPHX1EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL13438910 0.73 EPHX1 (0.46) EPHX1EPHX2MAPK1SMN1; SMN2ALDH1A1
SCHEMBL25996348 0.73 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4ECNR2NPC1

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-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 — — US disclosed
US-20200369655-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2020-11-26 — — 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 (2 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-20200369655-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH EPHX1 2705/4885EPHX2 3705/4885MAPK1 4572/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH EPHX1 2705/4885EPHX2 3705/4885MAPK1 4572/4885

“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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