SCHEMBL753937

SCHEMBL753937

COc1cc(OC(=O)O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
FFAR1 O14842 2/20 0.43
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
LMNA P02545 2/20 0.40
HAO1 Q9UJM8 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
SLC13A5 Q86YT5 1/20 0.39
SORT1 Q99523 1/20 0.39
PPARG P37231 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL28922557 0.89 LMNA (0.49) LOXLOXL2FFAR1CCR1CCR5
SCHEMBL246279 0.87 LOXL2 (0.36) LOXL2FFAR1CCR1CCR5CCR8
Water SCHEMBL8053672 0.85 LOXL2 (0.36) LOXL2CCR1CCR5CCR8LMNA
SCHEMBL9573013 0.85 KDM4E (0.36) FFAR1CCR1CCR5CCR8LMNA
SCHEMBL15881349 0.84 MEN1 (0.48) LOXLOXL2FFAR1CCR1CCR5
SCHEMBL29002119 0.83 LOX (0.45) LOXLOXL2FFAR1CCR1CCR5
SCHEMBL29002120 0.82 FFAR1 (0.44) LOXLOXL2FFAR1KCNK3KCNK9
SCHEMBL25306805 0.81 THRB (0.41) LOXLOXL2FFAR1CCR1CCR5
SCHEMBL25262782 0.81 ACHE (0.45) LOXLOXL2FFAR1CCR1CCR5
Urea SCHEMBL27918811 0.80 NOS3 (0.53) LOXLOXL2CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014911-B2 CDK2 inhibitors PFIZER INC. (US) 2021-05-25 US disclosed
US-20200247784-A1 CDK2 INHIBITORS PFIZER INC. (US) 2020-08-06 US disclosed
EP-2188254-B1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-03-21 EP disclosed
EP-2188254-A1 NOVEL BRADYKININ B1-ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-05-26 EP disclosed
WO-2009027450-A1 NOVEL BRADYKININ B1-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-05 WO 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 (2 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-20200247784-A1 CDK2 INHIBITORS CDK2, CDK1, CCNI LOX 4532/4885LOXL2 4226/4885FFAR1 4687/4885
US-11014911-B2 CDK2 inhibitors CDK2, CDK1, CCNI LOX 4532/4885LOXL2 4226/4885FFAR1 4687/4885

“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.