SCHEMBL12535673

SCHEMBL12535673

CC(C)(C)OC(=O)/C=C/c1ccc(F)c(N)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
TTR P02766 2/20 0.41
APP P05067 1/20 0.41
NR1H4 Q96RI1 5/20 0.40
BACE1 P56817 2/20 0.39
TUBB1 Q9H4B7 1/20 0.39
PTPN1 P18031 1/20 0.39
CSF1R P07333 1/20 0.39
DPP4 P27487 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
HDAC1 Q13547 1/20 0.38
PTGS2 P35354 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
SCHEMBL14743799 0.88 ESR1 (0.44) ESR1TTRAPPNR1H4TUBB1
SCHEMBL6059676 0.88 PTGS2 (0.49) ESR1TTRAPPNR1H4BACE1
SCHEMBL6059677 0.88 PTGS2 (0.49) ESR1TTRAPPNR1H4BACE1
SCHEMBL18323018 0.85 ESR1 (0.42) ESR1TTRAPPNR1H4TUBB1
SCHEMBL16486855 0.85 ESR1 (0.42) ESR1TTRAPPNR1H4TUBB1
SCHEMBL13660708 0.84 TUBB1 (0.46) ESR1TTRAPPNR1H4TUBB1
SCHEMBL2847487 0.83 TTR (0.59) TTRAPPBACE1TUBB1PTPN1
SCHEMBL2847488 0.83 TTR (0.59) TTRAPPBACE1TUBB1PTPN1
SCHEMBL38657985 0.82 ALOX5 (0.40) ESR1NR1H4TUBB1CSF1RHDAC1
SCHEMBL20064785 0.81 NR1H4 (0.42) ESR1TTRAPPNR1H4TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH ESR1 3446/4885TTR 481/4885APP 1156/4885

“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.