SCHEMBL19863984

SCHEMBL19863984

COc1cc(C(C)C(C)C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
KCNB1 Q14721 1/20 0.37
ROCK2 O75116 1/20 0.36
PFKFB3 Q16875 1/20 0.36
AAK1 Q2M2I8 4/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ACVR2A P27037 2/20 0.35
TGFBR2 P37173 2/20 0.35
ACACB O00763 1/20 0.35
DYRK1A Q13627 1/20 0.34
IDO1 P14902 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL17000208 1.00 LOX (0.46) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL18626319 1.00 LOX (0.46) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL31421700 0.84 LOX (0.48) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL84460 0.84 LOX (0.48) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL22585542 0.83 LOX (0.44) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL12093566 0.82 LOX (0.47) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL17000210 0.81 ACACB (0.42) LOXLOXL2KCNB1ACACBGABRA1
SCHEMBL23232590 0.81 LOX (0.50) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL22369466 0.81 LOX (0.50) LOXLOXL2KCNB1ROCK2PFKFB3
SCHEMBL23232245 0.81 LOX (0.50) LOXLOXL2KCNB1ROCK2PFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10329299-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-02-15 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-9516880-B2 Herbicidal and fungicidal 5-oxy-substituted 3-phenylisoxazoline-5-carboxamides and 5-oxy-substituted 3-phenylisoxazoline-5-thioamides BAYER CROPSCIENCE AG (DE) 2016-12-13 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES BAYER CROPSCIENCE AG (DE) 2015-08-13 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP LOX 159/4885LOXL2 1123/4885KCNB1 1251/4885
US-20150223461-A1 HERBICIDALLY AND FUNGICIDALLY ACTIVE 3-HETEROARYL-ISOXAZOLINE-5-CARBOXAMIDES AND 3-HETEROARYL-ISOXAZOLINE-5-THIOAMIDES CBR3, CYP3A7, PRDX3 LOX 2562/4885LOXL2 2311/4885KCNB1 736/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP LOX 159/4885LOXL2 1123/4885KCNB1 1251/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G LOX 4111/4885LOXL2 4346/4885KCNB1 4195/4885
US-10329299-B2 Heterocyclic compounds and uses thereof PIK3CA, AKT1, AKT2 LOX 858/4885LOXL2 1748/4885KCNB1 3402/4885
US-20150245616-A1 HERBICIDAL AND FUNGICIDAL 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES AND 5-OXY-SUBSTITUTED 3-PHENYLISOXAZOLINE-5-THIOAMIDES CYP4X1, PRDX4, PRDX5 LOX 644/4885LOXL2 1125/4885KCNB1 820/4885
US-20180044346-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LOX 919/4885LOXL2 1643/4885KCNB1 3924/4885

“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.