SCHEMBL2249529

SCHEMBL2249529

CCCCOCC(C)OC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
FAAH O00519 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
PLA2G2C Q5R387 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
CES2 O00748 1/20 0.36
HPGD P15428 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL27646116 0.88 TDP1 (0.40) ALDH1A1FAAHTDP1ATMHSD17B10
SCHEMBL1470241 0.85 PLA2G2C (0.44) ALDH1A1TDP1PLA2G2CHSD17B10USP2
SCHEMBL1469912 0.84 ALDH1A1 (0.44) ALDH1A1TDP1ATMPLA2G2CHSD17B10
SCHEMBL27625743 0.83 ALDH1A1 (0.45) ALDH1A1FAAHTDP1HSD17B10TSHR
SCHEMBL5482803 0.83 TDP1 (0.40) ALDH1A1TDP1PLA2G2CHSD17B10MAPT
SCHEMBL107643 0.83 ALDH1A1 (0.47) ALDH1A1TDP1PLA2G2CMAPTUSP2
SCHEMBL1469307 0.82 ALDH1A1 (0.40) ALDH1A1TDP1ATMPLA2G2CHSD17B10
SCHEMBL30945799 0.81 TSHR (0.44) ALDH1A1TDP1PLA2G2CHSD17B10MAPT
SCHEMBL443948 0.81 NAAA (0.41) ALDH1A1FAAHTDP1PLA2G2CHSD17B10
Water SCHEMBL27447449 0.81 ALDH1A1 (0.45) ALDH1A1TDP1PLA2G2CMAPTUSP2

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-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
CN-1766733-A Phototonus resin composition, spacer for display panel and display panel JSR CORP (JP) 2006-05-03 CN 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-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX ALDH1A1 2866/4885FAAH 1137/4885TDP1 2542/4885

“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.