SCHEMBL5118

SCHEMBL5118

[CH2]C(C)(C)C1CCCCCC1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 1/20 0.31
SSTR4 P31391 1/20 0.31

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
SCHEMBL350254 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL3813341 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL5709 1.00 EPHX1 (0.31) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL5022 0.97
SCHEMBL5689 0.90
SCHEMBL349126 0.83
SCHEMBL28746805 0.77 EPHX1 (0.33) EPHX1SSTR4
SCHEMBL879449 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL9897847 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2
SCHEMBL8502985 0.75 LMNA (0.38) EPHX1GAAPKMTDP1CYP1A2

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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP disclosed
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 EP disclosed
EP-2838883-B1 NEW PHENYL-TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 US disclosed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 CN disclosed
CN-104245674-B Phenyl-tetrahydroisoquinoline derivatives 霍夫曼-拉罗奇有限公司 2017-07-11 CN disclosed
CN-104583197-B New bicyclicpyridine derivatives 霍夫曼-拉罗奇有限公司 2017-05-17 CN disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
WO-2012101011-A2 NEW ARYL-BENZOCYCLOALKYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-08-02 WO disclosed
WO-2012089601-A1 NEW BIARYL AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-05 WO disclosed
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. 2012-06-28 US disclosed
WO-2012020035-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
WO-2012007367-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 US disclosed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP 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 (4 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B EPHX1 2298/4885GAA 3029/4885PKM 4548/4885
US-20120041013-A1 NEW AZACYCLIC COMPOUNDS LIPE, GPR119, LIPC EPHX1 832/4885GAA 325/4885PKM 4275/4885
US-20110092512-A1 NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES LPL, MGLL, LIPE EPHX1 676/4885GAA 775/4885PKM 2616/4885
US-20120165338-A1 NEW BIARYL AMIDE DERIVATIVES BICRA, HDAC10, BRD7 EPHX1 2404/4885GAA 3507/4885PKM 4438/4885

“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.