SCHEMBL3487288

SCHEMBL3487288

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39

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
SCHEMBL2304250 0.88 KMT2A (0.49) HSD11B1LMNAHSD17B10KMT2APOLB
SCHEMBL18111957 0.86 MAPT (0.47) HSD11B1RAB9AMAPTNPC1TDP1
SCHEMBL1904599 0.86 GRIN2D (0.51) HSD11B1RAB9AMAPTTDP1SMN1; SMN2
SCHEMBL21447568 0.86 HSD11B1 (0.52) HSD11B1MAPTSMN1; SMN2CYP2C19MEN1
SCHEMBL3487498 0.85 SRD5A2 (0.46) HSD11B1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13221587 0.85 ALDH1A1 (0.46) RAB9AMAPTNPC1TDP1SMN1; SMN2
SCHEMBL31294747 0.84 HSD11B1 (0.41) HSD11B1RAB9AMAPTNPC1TDP1
SCHEMBL1524169 0.84 RAB9A (0.47) RAB9AMAPTNPC1TDP1SMN1; SMN2
SCHEMBL3486362 0.83 SMN1; SMN2 (0.43) HSD11B1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3486832 0.83 CNR1 (0.47) RAB9AMAPTNPC1TDP1SMN1; SMN2

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 15 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
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100010235-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2010-01-14 US disclosed
US-20100010235-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2010-01-14 US disclosed
US-7569734-B2 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-08-04 US disclosed
US-7569734-B2 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-08-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
US-7495097-B2 Rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-02-24 US disclosed
US-7495097-B2 Rhodium quinonoid catalysts BROWN UNIVERSITY (US) 2009-02-24 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070123715-A1 Method of using rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-31 US disclosed
US-20070117981-A1 Rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-24 US disclosed
US-20070117981-A1 Rhodium quinonoid catalysts BROWN UNIVERSITY 2007-05-24 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 (4 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-20070117981-A1 Rhodium quinonoid catalysts NQO2, NDUFV2, QARS1 HSD11B1 2040/4885RAB9A 167/4885MAPT 3897/4885
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 HSD11B1 693/4885RAB9A 2732/4885MAPT 3292/4885
US-20100010235-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL HSD11B1 1016/4885RAB9A 406/4885MAPT 4481/4885
US-20070123715-A1 Method of using rhodium quinonoid catalysts NQO2, NQO1, RECQL HSD11B1 1016/4885RAB9A 406/4885MAPT 4481/4885

“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.