SCHEMBL10176529

SCHEMBL10176529

COCCOCOCNS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALOX15 P16050 1/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
GBA1 P04062 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL17877990 0.89 ALDH1A1 (0.64) ALDH1A1LMNAHPGDHTTSMN1; SMN2
SCHEMBL13748831 0.88 ALDH1A1 (0.58) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL30602365 0.81 ALDH1A1 (0.63) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL7350215 0.80 MAPK1 (0.66) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL12302132 0.78 ALDH1A1 (0.90) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL14365246 0.77 ALDH1A1 (0.49) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL2627777 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL10020918 0.75 ALDH1A1 (0.45) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL4503066 0.75 ALDH1A1 (0.74) ALDH1A1LMNAHPGDHTTMAPT
SCHEMBL8048430 0.74 ALDH1A1 (0.96) ALDH1A1LMNAHPGDHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 US disclosed
US-8106036-B2 Pharmaceutical compositions-4 HARBOR BIOSCIENCES, INC. (US) 2012-01-31 US disclosed
US-7947846-B2 15-OXA-steroid compounds HARBOR BIOSCIENCES, INC. (US) 2011-05-24 US disclosed
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 BIOVIE INC. 2010-09-02 US disclosed
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 BIOVIE INC. 2010-09-02 US disclosed
US-7723532-B2 Pharmaceutical compositions 3 HARBOR BIOSCIENCES, INC. (US) 2010-05-25 US disclosed
US-7524835-B2 Tetrol steroids and esters HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-04-28 US disclosed
US-20080176824-A1 Pharmaceutical Compositions 3 BIOVIE INC. 2008-07-24 US disclosed
US-7396827-B2 Pharmaceutical compositions and treatment methods HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2008-07-08 US disclosed
US-20080045490-A1 Pharmaceutical Compositions BIOVIE INC. 2008-02-21 US disclosed
US-20070129282-A1 Pharmaceutical treatments and compositions BIOVIE INC. 2007-06-07 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 (6 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-20080045490-A1 Pharmaceutical Compositions HSD3B1, HSD17B3, HSD17B1 ALDH1A1 1519/4885LMNA 4207/4885HPGD 70/4885
US-20070129282-A1 Pharmaceutical treatments and compositions HSD3B1, HSD3B2, HSD17B1 ALDH1A1 2347/4885LMNA 4475/4885HPGD 52/4885
US-20100222425-A1 COMPOSITIONS AND TREATMENT METHODS-2 MPL, THPO, HSD3B2 ALDH1A1 2053/4885LMNA 3738/4885HPGD 15/4885
US-20100222313-A1 PHARMACEUTICAL COMPOSITIONS-4 HSD3B1, HSD3B2, HSD17B7 ALDH1A1 2570/4885LMNA 4530/4885HPGD 89/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 ALDH1A1 1545/4885LMNA 4455/4885HPGD 122/4885
US-20080176824-A1 Pharmaceutical Compositions 3 HSD3B1, HSD17B3, HSD3B2 ALDH1A1 2340/4885LMNA 4345/4885HPGD 100/4885

“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.