SCHEMBL23665809

SCHEMBL23665809

O=C(CC1CCOC1=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
USP2 O75604 1/20 0.46
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDC25B P30305 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL10000009 0.78 GLA (0.47) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL30226689 0.77 LMNA (0.48) KMT2AMEN1CYP1A2
SCHEMBL30229409 0.76 KDM4E (0.44) ALDH1A1MAPK1KMT2ACYP1A2
SCHEMBL4143101 0.76 ALDH1A1 (0.59) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL304993 0.75 ALDH1A1 (0.51) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL31075108 0.75 MEN1 (0.55) KMT2AMEN1NPSR1NPC1RAB9A
SCHEMBL13599760 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL27522093 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL7215778 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL3601493 0.75 MAPT (0.47) ALDH1A1MAPK1L3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210221765-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS, INC. 2021-07-22 US disclosed
US-20170349544-A1 Ethynylbenzene Derivatives DUKE UNIVERSITY 2017-12-07 US disclosed
US-9738604-B2 Ethynylbenzene derivatives DUKE UNIVERSITY (US) 2017-08-22 US disclosed
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES DUKE UNIVERSITY (US) 2013-09-05 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-20210221765-A1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS AND THEIR USE FOR THE PREVENTION OR TREATMENT OF DISEASE CPT1A, PPARG, PC GLA 818/4885ALDH1A1 283/4885MAPK1 2959/4885
US-20170349544-A1 Ethynylbenzene Derivatives Q6ZSR9, EPX, ZYX GLA 890/4885ALDH1A1 1651/4885MAPK1 3489/4885
US-20130231323-A1 ETHYNYLBENZENE DERIVATIVES Q6ZSR9, EPX, ZYX GLA 890/4885ALDH1A1 1651/4885MAPK1 3489/4885

“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.