SCHEMBL5494077

SCHEMBL5494077

CC(=O)O/C=C(/C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 2/20 0.43
NR1H4 Q96RI1 6/20 0.42
EPHX2 P34913 4/20 0.42
ESRRB O95718 1/20 0.41
ESRRG P62508 1/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
NR4A2 P43354 1/20 0.40
NLRP3 Q96P20 1/20 0.40
RXRG P48443 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5186509 1.00 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL5186521 1.00 SMN1; SMN2 (0.43) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL7905599 0.88 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL7905596 0.88 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL7899387 0.86 CA1 (0.48) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL11462769 0.86 NPC1 (0.37) SMN1; SMN2LMNAMAPTALDH1A1MEN1
SCHEMBL7899385 0.86 CA1 (0.48) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6567605 0.84 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6567600 0.84 ALDH1A1 (0.47) SMN1; SMN2LMNAMAPTNR1H4EPHX2
SCHEMBL6568186 0.83 LMNA (0.50) SMN1; SMN2LMNAMAPTNR1H4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609775-B1 1-acetoxy-3-(substituted phenyl) propen compounds useful as an intermediate material UBE INDUSTRIES (JP) 2007-06-27 EP disclosed
EP-1574509-B1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES UBE INDUSTRIES (JP) 2007-06-13 EP disclosed
US-7173148-B2 Process for producing 1-acetoxy-3-(substituted phenyl)propene compound UBE INDUSTRIES, LTD. (JP) 2007-02-06 US disclosed
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes UBE INDUSTRIES, LTD. (JP) 2006-03-30 US disclosed
US-20060004213-A1 1-Acetoxy-3-(substituted phenyl)propene compounds UBE INDUSTRIES, LTD., A CORPORATION OF JAPAN (JP) 2006-01-05 US disclosed
EP-1609775-A2 1-acetoxy-3-(substituted phenyl) propen compounds useful as an intermediate material Ube Industries, Ltd. (JP) 2005-12-28 EP disclosed
EP-1574509-A1 PROCESS FOR THE PRODUCTION OF 1-ACETOXY-3-(SUBSTITUTED PHENYL)PROPENES Ube Industries, Ltd. (JP) 2005-09-14 EP 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 (2 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-20060004213-A1 1-Acetoxy-3-(substituted phenyl)propene compounds AKR1C3, P4HA1, AKR1C1 SMN1; SMN2 4042/4885LMNA 1862/4885MAPT 4191/4885
US-20060069273-A1 Process for producing 1-acetoxy-3-(substituded phenyl) propenes AKR1C4, PAH, AKR1C3 SMN1; SMN2 2508/4885LMNA 2375/4885MAPT 3927/4885

“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.