SCHEMBL6452235

SCHEMBL6452235

CC(=O)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.67
LRRK2 Q5S007 10/20 0.65
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
FOLH1 Q04609 1/20 0.56
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
MAOB P27338 1/20 0.54
USP2 O75604 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53

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
SCHEMBL30591972 1.00 PTGDR2 (0.67) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL384896 0.89 FOLH1 (0.68) PTGDR2LRRK2L3MBTL1FOLH1LMNA
SCHEMBL30361330 0.88 MAOB (0.61) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL1106947 0.88 MAOB (0.61) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL31053278 0.88 PTGDR2 (0.59) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL28260622 0.86 LRRK2 (0.59) PTGDR2LRRK2SMN1; SMN2L3MBTL1FOLH1
SCHEMBL5431545 0.86 LRRK2 (0.63) LRRK2L3MBTL1FOLH1LMNAPOLB
SCHEMBL23599368 0.85 LRRK2 (0.55) LRRK2FOLH1LMNAPOLBALDH1A1
SCHEMBL4723723 0.85 LRRK2 (0.58) LRRK2FOLH1LMNAPOLBKDM4E
SCHEMBL5627324 0.85 LRRK2 (0.56) PTGDR2LRRK2FOLH1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150325-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITORS LG CHEM, LTD. (KR) 2024-05-09 US disclosed
EP-4273140-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR Lg Chem, Ltd. (KR) 2023-11-08 EP disclosed
CN-116745279-A Novel compounds as protein kinase inhibitors 株式会社LG化学 2023-09-12 CN disclosed
WO-2022169248-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITOR 주식회사 엘지화학 2022-08-11 WO disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-11-06 US disclosed
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease LG BIOMEDICAL INSTITUTE 2003-10-02 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 (5 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-20240150325-A1 NOVEL COMPOUND AS PROTEIN KINASE INHIBITORS MAP3K20, SBK3, MAPKAPK2 PTGDR2 3299/4885LRRK2 174/4885MAPT 1526/4885
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 PTGDR2 2329/4885LRRK2 4310/4885MAPT 4625/4885
US-20030208067-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 PTGDR2 1698/4885LRRK2 534/4885MAPT 1057/4885
US-20030187007-A1 Inhibitors of protein kinase for the treatment of disease MAP3K20, MAP3K1, MAP3K2 PTGDR2 1698/4885LRRK2 534/4885MAPT 1057/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC PTGDR2 2389/4885LRRK2 2944/4885MAPT 2805/4885

“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.