SCHEMBL3724645

SCHEMBL3724645

Cc1ccc(OCCC(=O)O)c(C)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.66
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 3/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 1/20 0.51
FFAR4 Q5NUL3 6/20 0.51
FFAR1 O14842 3/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MCL1 Q07820 1/20 0.50
PPARG P37231 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL9888805 0.92 TSHR (0.79) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL25778887 0.89 TSHR (0.69) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL3727479 0.86 TSHR (0.87) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL23189063 0.86 KDM4E (0.53) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL27535566 0.85 MCL1 (0.53) TSHRL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL10359783 0.83 PPARG (0.67) TSHRL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL6897570 0.83 MRGPRX4 (0.53) TSHRL3MBTL1KDM4ELMNAFFAR4
SCHEMBL7523915 0.83 TSHR (0.58) TSHRL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL3667070 0.83 KDM4E (0.65) TSHRALDH1A1KDM4EHPGDNPC1
SCHEMBL23268917 0.83 LMNA (0.66) TSHRL3MBTL1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2053918-B1 PROPYL PHENOXY ETHERS FOR USE AS DELIVERY AGENTS EMISPHERE TECH INC (US) 2014-07-23 EP disclosed
EP-2053918-B1 PROPYL PHENOXY ETHERS FOR USE AS DELIVERY AGENTS EMISPHERE TECH INC (US) 2014-07-23 EP disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 US disclosed
US-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EMISPHERE TECHNOLOGIES INC. (US) 2010-03-11 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-20100062970-A1 SYNTHESIS OF PROPYL PHENOXY ETHERS AND USE AS DELIVERY AGENTS EPX, HPD, CYP2C8 TSHR 3844/4885L3MBTL1 3481/4885ALDH1A1 3161/4885

“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.