SCHEMBL642776

SCHEMBL642776

CC(=O)Oc1ccc(C(=O)O)c(OC(C)=O)c1OC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.71
CFD P00746 2/20 0.58
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 5/20 0.56
HPGD P15428 4/20 0.56
TSHR P16473 3/20 0.56
TDP1 Q9NUW8 3/20 0.56
PTGS1 P23219 2/20 0.56
PTGS2 P35354 2/20 0.56
BLM P54132 2/20 0.56
ESR1 P03372 1/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
HMGB1 P09429 1/20 0.56
GGT1 P19440 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
GAA P10253 2/20 0.50
RAB9A P51151 1/20 0.50
USP2 O75604 1/20 0.50

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
SCHEMBL9867909 0.85 MAPK1 (0.62) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL9356004 0.84 MAPK1 (0.60) MAPK1CFDKDM4EALDH1A1HSD17B10
Dipyrocetyl SCHEMBL29508594 0.83 MAPK1 (1.00) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL1773882 0.83 MAPK1 (0.50) MAPK1CFDKDM4EALDH1A1HSD17B10
Dipyrocetyl SCHEMBL26164 0.83 MAPK1 (1.00) MAPK1CFDKDM4EALDH1A1HSD17B10
Dipyrocetyl SCHEMBL11121474 0.81 MAPK1 (0.96) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL31195949 0.81 MAPK1 (0.56) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL11130469 0.81 CFD (0.58) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL10944316 0.79 MAPK1 (0.46) MAPK1CFDKDM4EALDH1A1HSD17B10
SCHEMBL8667165 0.78 KDM4E (0.79) MAPK1CFDKDM4EALDH1A1HSD17B10

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
CN-118460536-A Targeting composition 阿布特斯生物制药公司 2024-08-09 CN disclosed
CN-110741087-B Targeting composition 阿布特斯生物制药公司 2024-05-14 CN disclosed
CN-114761430-A Chimeric protein targeting PD-L1 and application thereof 奥里尼斯生物科学股份有限公司 2022-07-15 CN disclosed
US-8916652-B2 Multi-armed catechol compound blends KENSEY NASH CORPORATION (US) 2014-12-23 US disclosed
US-20120149849-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS KNC NER ACQUISITION SUB, INC. (US) 2012-06-14 US disclosed
US-8119742-B2 Multi-armed catechol compound blends KNC NER ACQUISITION SUB, INC. (US) 2012-02-21 US disclosed
EP-2348835-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS KNC NER Acquisition Sub, Inc. (US) 2011-08-03 EP disclosed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 US disclosed
WO-2010037045-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-04-01 WO disclosed
US-5324804-A Photoresist material based on polystyrenes CIBA-GEIGY CORPORATION (US) 1994-06-28 US disclosed
EP-0295630-A2 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1988-12-21 EP disclosed
EP-0177596-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1986-04-16 EP disclosed
WO-1985004878-A1 BETA-LACTAM DERIVATIVES, PREPARATION, COMPOSITIONS CONTAINING THEM BEECHAM GROUP P.L.C. (GB) 1985-11-07 WO disclosed
US-4513145-A BACTERICIDES, URINARY TRACT DISORDERS; CEPH M INTERMEDIATES EISAI CO., LTD. (JP) 1985-04-23 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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT MAPK1 3176/4885CFD 434/4885KDM4E 357/4885

“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.