SCHEMBL6836628

SCHEMBL6836628

CC(C)C1CC(=O)c2ccccc2O1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.56
ADORA3 P0DMS8 3/20 0.56
AR P10275 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP19A1 P11511 1/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
HSD11B1 P28845 1/20 0.49
AKR1C3 P42330 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
AXL P30530 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.42

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
SCHEMBL11165877 0.84 MAOB (0.50) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL11376090 0.84 MAOB (0.50) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL14992983 0.83 MAOB (0.56) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL13690008 0.82 MAOB (0.48) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL1979073 0.78 PBRM1 (0.66) MAOBARKDM4ECYP19A1HSD17B10
SCHEMBL11167408 0.77 MAOB (0.47) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL9819236 0.77 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL69392 0.77 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL15147107 0.77 MAOB (0.61) MAOBADORA3ARKDM4ECYP19A1
SCHEMBL23957137 0.76 MAOB (0.43) MAOBADORA3ARKDM4ECYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2024-01-18 US disclosed
US-20210169892-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2021-06-10 US disclosed
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ABBVIE INC. 2020-11-05 US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
US-4261988-A ANTICHOLESTEROL AGENTS USED IN ANIMAL HUSBANDRY BAYER AKTIENGESELLSCHAFT (DE) 1981-04-14 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 (7 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-20240018133-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAOB 3069/4885ADORA3 4386/4885AR 2929/4885
US-20200347043-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAOB 3069/4885ADORA3 4386/4885AR 2929/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A MAOB 428/4885ADORA3 3380/4885AR 4709/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAOB 4384/4885ADORA3 4637/4885AR 2553/4885
US-20210169892-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 MAOB 3069/4885ADORA3 4386/4885AR 2929/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 MAOB 467/4885ADORA3 3183/4885AR 4667/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 MAOB 454/4885ADORA3 2725/4885AR 4768/4885

“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.