SCHEMBL7597341

SCHEMBL7597341

COc1ccc(CBr)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.57
CFD P00746 1/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
LDHA P00338 1/20 0.47
GAA P10253 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL506455 0.88 PPARG (0.61) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL7078432 0.88 MRGPRX4 (0.46) MRGPRX4CFDALDH1A1KDM4ELDHA
SCHEMBL6866159 0.87 CFD (0.70) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL31119031 0.86 HPGD (0.54) MRGPRX4ALDH1A1KDM4EHPGDGAA
SCHEMBL1287529 0.86 HPGD (0.54) MRGPRX4ALDH1A1KDM4EHPGDGAA
SCHEMBL12837926 0.86 MRGPRX4 (0.57) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL384685 0.86 MRGPRX4 (0.57) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL5453077 0.84 MRGPRX4 (0.59) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL31252031 0.84 MRGPRX4 (0.59) MRGPRX4CFDALDH1A1KDM4EHPGD
SCHEMBL20522149 0.83 PPARG (0.60) MRGPRX4CFDALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023077040-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 WO disclosed
EP-3303415-B1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC (CH) 2022-12-28 EP disclosed
US-10324311-B2 Visible-light photoinitiators and uses thereof NOVARTIS AG (CH) 2019-06-18 US disclosed
EP-3303415-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF Novartis AG (CH) 2018-04-11 EP disclosed
WO-2016193912-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF NOVARTIS AG (CH) 2016-12-08 WO disclosed
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF ALCON INC. (CH) 2016-12-08 US disclosed
EP-2757093-B1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC (JP) 2016-12-07 EP disclosed
US-9199927-B2 Guanidinobenzoic acid compound ASTELLAS PHARMA INC. (JP) 2015-12-01 US disclosed
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-25 US disclosed
EP-2757093-A1 GUANIDINOBENZOIC ACID COMPOUND Astellas Pharma Inc. (JP) 2014-07-23 EP disclosed
EP-1000038-B1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
US-6200981-B1 FOR TREATING INFLAMMATORY DISEASES SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS, RHEUMATOID ARTHRITIS, MYOCARDIAL ISCHAEMIA, CYSTIC FIBROSIS, ARTHEREOSCLEROSIS, RESTENOSIS, PERIDONTAL DISEASE, SEPTIC SHOCK, OSTEOARTHRITIS ASTRAZENECA UK LIMITED (GB) 2001-03-13 US disclosed
EP-1000038-A1 NOVEL PYRIMIDIN DERIVATIVES AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999005123-A1 NOVEL PYRIMIDIN DERIVATIVES ASTRAZENECA UK LIMITED (GB) 1999-02-04 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 (3 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-10324311-B2 Visible-light photoinitiators and uses thereof SIRT5, IK, IGLV6-57 MRGPRX4 4778/4885CFD 1765/4885ALDH1A1 1953/4885
US-20140378459-A1 GUANIDINOBENZOIC ACID COMPOUND SERPINB1, REN, SPINT2 MRGPRX4 821/4885CFD 3531/4885ALDH1A1 2023/4885
US-20160357031-A1 VISIBLE-LIGHT PHOTOINITIATORS AND USES THEREOF SIRT5, IK, IGLV6-57 MRGPRX4 4778/4885CFD 1765/4885ALDH1A1 1953/4885

“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.