SCHEMBL18705336

SCHEMBL18705336

C=CCOC(=O)c1cccc(OCC(=O)OCC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRB3 P13945 1/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
HPGD P15428 3/20 0.49
KDM4E B2RXH2 3/20 0.48
HSD17B10 Q99714 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6182390 0.88 PPARA (0.58) PPARAPPARGHPGDKDM4EHSD17B10
SCHEMBL4872864 0.85 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM4EALDH1A1
SCHEMBL20520164 0.84 MAPK1 (0.52) ADRB2ADRB1ADRB3PPARAPPARG
SCHEMBL27294341 0.84 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM4EHSD17B10
SCHEMBL20762833 0.82 CYP3A4 (0.53) HPGDKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL26108247 0.81 PPARA (0.53) PPARAPPARGHPGDKDM4EHSD17B10
SCHEMBL26381757 0.80 SMPD1 (0.60) ADRB2ADRB1ADRB3KMT2A
SCHEMBL6816376 0.80 KMT2A (0.63) PPARAPPARGHPGDKDM4EHSD17B10
SCHEMBL9364192 0.80 CYP3A4 (0.53) ADRB2ADRB1ADRB3HSD17B10ALDH1A1
SCHEMBL16837303 0.80 PPARA (0.52) PPARAPPARGHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108472381-B Compounds and therapeutic uses thereof 森陶里治疗有限公司 2023-06-06 CN disclosed
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 US disclosed
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 US disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 WO disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 ADRB2 4750/4885ADRB1 4756/4885ADRB3 4666/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 ADRB2 4750/4885ADRB1 4756/4885ADRB3 4666/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 ADRB2 4750/4885ADRB1 4756/4885ADRB3 4666/4885

“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.