SCHEMBL20520164

SCHEMBL20520164

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 2/20 0.45
PTPN7 P35236 1/20 0.44
FFAR1 O14842 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 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
SCHEMBL27294341 0.88 ADRB2 (0.62) ADRB2ADRB1ADRB3KDM4ENPC1
SCHEMBL18705336 0.84 ADRB2 (0.51) ADRB2ADRB1ADRB3KDM4ECYP3A4
SCHEMBL9364192 0.84 CYP3A4 (0.53) ADRB2ADRB1ADRB3CYP3A4ALDH1A1
Benzene SCHEMBL29140663 0.83 CYP3A4 (0.59) MAPK1ADRB2ADRB1ADRB3PKM
SCHEMBL16372021 0.82 CYP3A4 (0.61) MAPK1ADRB2ADRB1ADRB3LMNA
SCHEMBL157805 0.82 CYP3A4 (0.61) MAPK1ADRB2ADRB1ADRB3LMNA
SCHEMBL4496546 0.81 LMNA (0.58) MAPK1PKMHTTLMNAALOX15
SCHEMBL30625938 0.80 ADRB2 (0.57) ADRB2ADRB1ADRB3HTTLMNA
SCHEMBL12904275 0.80 CYP3A4 (0.49) ADRB2ADRB1ADRB3KDM4ENPC1
SCHEMBL2392472 0.79 CYP3A4 (0.54) ADRB2ADRB1ADRB3HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 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 (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 MAPK1 2815/4885ADRB2 4750/4885ADRB1 4756/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 MAPK1 2815/4885ADRB2 4750/4885ADRB1 4756/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 MAPK1 2815/4885ADRB2 4750/4885ADRB1 4756/4885

“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.