SCHEMBL6833277

SCHEMBL6833277

CCC(C)C(=O)OOc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MIF P14174 2/20 0.41
ESR1 P03372 4/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ESR2 Q92731 2/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
RNASEL Q05823 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 2/20 0.39

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
SCHEMBL10724215 0.87 ESR1 (0.39) LMNAHSD17B10MIFESR1CA12
SCHEMBL869828 0.84 FFAR1 (0.43) LMNAHSD17B10CYP1A2CYP2D6CHRM1
SCHEMBL27498551 0.84 ESR1 (0.46) LMNAMIFESR1CA2TSHR
SCHEMBL97654 0.82 ELANE (0.46) LMNAHSD17B10MIFESR1CA12
SCHEMBL10359066 0.82 ELANE (0.46) LMNAHSD17B10MIFESR1CA12
SCHEMBL11535302 0.82 ALDH1A3 (0.46) LMNAMIFSMN1; SMN2ALDH1A1MAPT
Ethane SCHEMBL5531806 0.80 MIF (0.50) LMNAMIFESR1CA12CA1
Propionic Acid SCHEMBL17748851 0.80 FFAR1 (0.43) LMNAHSD17B10TSHRCYP1A2CYP2D6
SCHEMBL9488299 0.78 ESR2 (0.44) LMNAESR1CA12CA1CA2
SCHEMBL27652850 0.77 MAPT (0.41) LMNAHSD17B10MIFESR1CA12

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
CN-102775308-A Method for preparing ethyl 2-(4-hydroxyphenoxy) propinoate PEI ZHOU 2012-11-14 CN claimed
US-20040254206-A1 Substituted phenyluracils ANDREE ROLAND (DE) 2004-12-16 US disclosed
US-6815398-B1 PRE- AND POSTEMERGENCE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-11-09 US disclosed
US-6780821-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-24 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-20040254206-A1 Substituted phenyluracils DPYD, NDUFS5, POP1 LMNA 3752/4885HSD17B10 2460/4885MIF 4587/4885

“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.