SCHEMBL11510798

SCHEMBL11510798

COc1ccc2c(=O)cc(CO)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.65
CYP11B1 P15538 2/20 0.64
KDM4E B2RXH2 6/20 0.61
ALDH1A1 P00352 6/20 0.61
MAOB P27338 3/20 0.60
CYP11B2 P19099 1/20 0.58
HPGD P15428 3/20 0.58
MAPT P10636 3/20 0.58
CYP3A4 P08684 3/20 0.58
HSD17B10 Q99714 2/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 1/20 0.58
TNKS O95271 2/20 0.57
EPHX2 P34913 1/20 0.57
CYP19A1 P11511 1/20 0.57
USP2 O75604 1/20 0.56

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
SCHEMBL18397861 0.88 PPARG (0.65) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL18397732 0.87 NPC1 (0.61) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL12325511 0.85 PPARG (0.65) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL18397790 0.85 PPARG (0.65) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL18397897 0.85 PPARG (0.65) PPARGCYP11B1KDM4EALDH1A1MAOB
Hydrochloric Acid SCHEMBL18397798 0.84 LOXL2 (0.64) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL3661749 0.81 PPARG (0.68) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL1500139 0.81 MAOB (0.67) PPARGKDM4EALDH1A1MAOBHPGD
SCHEMBL11511477 0.80 PPARG (0.60) PPARGCYP11B1KDM4EALDH1A1MAOB
SCHEMBL7904928 0.80 LOXL2 (0.48) PPARGCYP11B1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
US-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-08-02 US disclosed
EP-3325462-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-05-30 EP disclosed
WO-2017015221-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-26 WO disclosed
US-4179447-A ANTIALLERGENS WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed
US-4158663-A FROM 4-METHOXYCOUMARINS USING SODIUM HYDRIDE AND DIMETHYLSULFOXIDE WARNER-LAMBERT COMPANY (US) 1979-06-19 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 (1 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-20180215727-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX PPARG 2000/4885CYP11B1 1314/4885KDM4E 1498/4885

“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.