SCHEMBL4200313

SCHEMBL4200313

[CH2]COC(=O)Oc1ccccc1C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
HSD17B10 Q99714 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK10 P53779 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
CDC25B P30305 2/20 0.44
TBXAS1 P24557 1/20 0.44
PDK2 Q15119 1/20 0.44
KDM4E B2RXH2 5/20 0.44

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
SCHEMBL4391361 0.91 TSHR (0.67) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL1283310 0.89 TSHR (0.69) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL4199471 0.88 TSHR (0.56) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL2910801 0.86 TSHR (0.61) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL2907157 0.86 TSHR (0.53) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL5706067 0.86 TSHR (0.65) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL2910803 0.84 KDM4E (0.63) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL5706165 0.84 CYP3A4 (0.58) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL4397337 0.83 TSHR (0.61) TSHRHSD17B10ALDH1A1MAPTCYP1A2
SCHEMBL2842657 0.83 TSHR (0.61) TSHRHSD17B10ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 TSHR 2112/4885HSD17B10 1218/4885ALDH1A1 1514/4885

“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.