SCHEMBL12836544

SCHEMBL12836544

COc1ccc2cc(C(C)CC(N)=O)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.65
ALOX5 P09917 2/20 0.59
AKR1C3 P42330 6/20 0.59
AKR1C2 P52895 6/20 0.59
PTGS2 P35354 4/20 0.59
PTGS1 P23219 3/20 0.59
TSHR P16473 2/20 0.59
CDC42 P60953 1/20 0.59
RAC1 P63000 1/20 0.59
CYP1A2 P05177 1/20 0.59
SLC22A6 Q4U2R8 1/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
AKR1C1 Q04828 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL988779 1.00 ABCB11 (0.65) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL17761206 1.00 ABCB11 (0.65) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL11154899 0.88 ABCB11 (0.69) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL3967988 0.86 ABCB11 (0.67) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL14349888 0.86 ABCB11 (0.67) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL12883281 0.85 TNF (0.54) ABCB11ALOX5MAPTL3MBTL1
SCHEMBL2452047 0.85 ABCB11 (0.61) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL2452044 0.85 ABCB11 (0.61) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL17761218 0.84 ALOX5 (0.55) ABCB11ALOX5AKR1C3AKR1C2PTGS2
SCHEMBL6172465 0.83 TNF (0.56) TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2024-07-18 US disclosed
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
WO-2017066103-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2017-04-20 WO disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
US-9212155-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-15 US disclosed
US-9206143-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-08 US disclosed
US-9206143-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2015-12-08 US disclosed
CN-102164488-A Novel compounds useful in the treatment of central nervous system diseases and disorders AURIMMED PHARMA INC 2011-08-24 CN disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 WO disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2011-02-24 US disclosed
WO-2009117515-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2009-09-24 WO 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 ABCB11 3096/4885ALOX5 2629/4885AKR1C3 3295/4885
US-20110046128-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS GAP43, CHRNA10, CHRNA6 ABCB11 1488/4885ALOX5 2184/4885AKR1C3 3672/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 ABCB11 3096/4885ALOX5 2629/4885AKR1C3 3295/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA ABCB11 3006/4885ALOX5 2642/4885AKR1C3 3261/4885
US-20110046138-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS CHRNA10, CHRNA6, GAP43 ABCB11 1786/4885ALOX5 2519/4885AKR1C3 4166/4885
US-20240239739-A1 COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, CTSA ABCB11 3006/4885ALOX5 2642/4885AKR1C3 3261/4885

“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.