SCHEMBL6862682

SCHEMBL6862682

COc1ccc(CC(C)C)cc1C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.51
ALOX12 P18054 3/20 0.51
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
FOS P01100 1/20 0.47
TTR P02766 1/20 0.47
JUN P05412 1/20 0.47
NR3C1 P04150 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
LDHA P00338 1/20 0.46
DBH P09172 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 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
SCHEMBL9765336 0.85 SLC6A4 (0.55)
SCHEMBL17571985 0.85 GABRA1 (0.54) ALOX15ALOX12CRHBPCRHR2SMN1; SMN2
SCHEMBL15342270 0.85 SLC6A4 (0.55)
SCHEMBL6126233 0.85 FOS (0.51) ALOX15ALOX12FOSTTRJUN
SCHEMBL806723 0.84 CA2 (0.63) ALOX15ALOX12FOSTTRJUN
SCHEMBL14864105 0.84 ALOX15 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL14238533 0.84 ALOX15 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL15851464 0.84 ALOX15 (0.60) ALOX15ALOX12CRHBPCRHR2SMN1; SMN2
Hydrochloric Acid SCHEMBL11209663 0.84 SLC6A4 (0.53)
SCHEMBL15490955 0.82 FOS (0.46) ALOX15ALOX12FOSTTRJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010107742-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
WO-2010107739-A2 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-09-23 WO disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
WO-2009039248-A2 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION AND COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION STANFORD UNIVERSITY (US) 2009-03-26 WO disclosed
WO-2009039246-A2 METHODS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION, AND SCREENING ASSAYS FOR IDENTIFYING COMPOSITIONS FOR TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION STANFORD UNIVERSITY (US) 2009-03-26 WO disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
EP-1309529-B1 FRAGRANCE COMPOUNDS QUEST INT SERV BV (NL) 2004-12-01 EP disclosed
US-20030176313-A1 Novel fragrance compounds QUEST INTERNATIONAL, B.V. (NL) 2003-09-18 US disclosed
EP-1309529-A1 FRAGRANCE COMPOUNDS QUEST INTERNATIONAL NEDERLAND BV (NL) 2003-05-14 EP disclosed
WO-2002014243-A1 NOVEL FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2002-02-21 WO disclosed
WO-2002014253-A1 CYCLOHEXYL ETHERS AS FRAGRANCE COMPOUNDS QUEST INTERNATIONAL B.V. (NL) 2002-02-21 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 (3 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-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 ALOX15 3536/4885ALOX12 3311/4885CRHBP 3051/4885
US-20030176313-A1 Novel fragrance compounds TRPA1, FAAH2, TRPV1 ALOX15 136/4885ALOX12 100/4885CRHBP 2429/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 ALOX15 3850/4885ALOX12 3221/4885CRHBP 1031/4885

“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.