SCHEMBL1632007

SCHEMBL1632007

CC(C)c1cc(C(C)C)c(-c2cc3ccccc3c(O)c2-c2c(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)cc3ccccc3c2O)c(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.45
GABRA1 P14867 5/20 0.42
GABRB2 P47870 3/20 0.42
GABRB1 P18505 3/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL1632003 0.94 NQO1 (0.43) NQO1GABRA1GABRB2GABRB1FAAH
SCHEMBL29350659 0.88 GABRA1 (0.42) NQO1GABRA1GABRB2GABRB1FAAH
SCHEMBL15590876 0.88 GABRA1 (0.42) NQO1GABRA1GABRB2GABRB1FAAH
SCHEMBL14327770 0.82 GPR84 (0.39) NQO1GABRA1GABRB2GABRB1FAAH
SCHEMBL29805248 0.80 GPR84 (0.36) NQO1GABRA1GABRB2HPGDGPR84
SCHEMBL15590877 0.79 CYP2A6 (0.35) NQO1GABRA1GABRB2GABRB1FABP4
SCHEMBL28491890 0.75 KMT2A (0.41) GABRA1GABRB2LMNACYP1A2CYP3A4
Phosphonic Acid SCHEMBL31425585 0.75 GPR84 (0.36) NQO1GABRA1GABRB2GPR84KDM4E
SCHEMBL16050488 0.75 GABRA1 (0.52) GABRA1GABRB2GABRB1FAAHCA1
SCHEMBL16817000 0.75 ROCK2 (0.38) GABRA1GABRB2CYP1A2HPGDFABP3

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-9242240-B2 Olefin metathesis catalysts and related methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-26 US disclosed
US-20150065723-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-05 US disclosed
US-8829219-B2 Olefin metathesis catalysts and related methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-09 US disclosed
US-20130281706-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2013-10-24 US disclosed
US-8350073-B2 Olefin metathesis catalysts and related methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-01-08 US disclosed
US-20110237815-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-09-29 US disclosed
US-7932397-B2 Molybdenum or tungsten complexed with such as 2,6-isopropylaniline, pyrrole and branched alkylidene; simple synthesis under mild conditions; high yield; wide variety from single precursor; one pot generation and chemical reaction use MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-26 US disclosed
WO-2008066754-A9 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS MASSACHUSETTS INST TECHNOLOGY (US) 2008-09-18 WO disclosed
WO-2008066754-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-05 WO disclosed
US-20080119678-A1 Olefin metathesis catalysts and related methods MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-05-22 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 (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-20150065723-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS APEX1, SQLE, COASY NQO1 186/4885GABRA1 4282/4885GABRB2 4628/4885
US-20110237815-A1 OLEFIN METATHESIS CATALYSTS AND RELATED METHODS APEX1, SQLE, COASY NQO1 186/4885GABRA1 4282/4885GABRB2 4628/4885
US-20080119678-A1 Olefin metathesis catalysts and related methods APEX1, SQLE, COASY NQO1 186/4885GABRA1 4282/4885GABRB2 4628/4885

“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.