SCHEMBL3486362

SCHEMBL3486362

CCOC(=O)CC(C)(C)c1ccc(C(=O)Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HSD11B1 P28845 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL3487498 0.86 SRD5A2 (0.46) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL3485782 0.85 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL1904599 0.84 GRIN2D (0.51) SMN1; SMN2LMNAMAPTRAB9AHSD11B1
SCHEMBL1021439 0.84 LMNA (0.42) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL3487288 0.83 HSD11B1 (0.42) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL2304250 0.82 KMT2A (0.49) LMNAHSD11B1CA12CA1CA2
SCHEMBL18111957 0.81 MAPT (0.47) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL21447568 0.80 HSD11B1 (0.52) SMN1; SMN2MAPTHSD11B1TSHRALDH1A1
SCHEMBL13221587 0.79 ALDH1A1 (0.46) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL11615735 0.78 NPC1 (0.45) SMN1; SMN2LMNAMAPTNPC1RAB9A

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 SMN1; SMN2 3790/4885LMNA 3564/4885MAPT 3292/4885

“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.