SCHEMBL1533096

SCHEMBL1533096

CC(OCC(=O)O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PPARA Q07869 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KLK7 P49862 1/20 0.40
TBXA2R P21731 1/20 0.40
HPGD P15428 1/20 0.39
MME P08473 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL16672851 0.83 FFAR1 (0.49) ALDH1A1TSHRFFAR1KLK7CYP2D6
SCHEMBL9292448 0.81 MEN1 (0.48)
SCHEMBL11540167 0.79 TSHR (0.41) ALDH1A1TSHRFFAR1PPARALMNA
SCHEMBL14762977 0.79 MAOB (0.46) ALDH1A1TSHRFFAR1PPARAMME
SCHEMBL1902113 0.79 CYP19A1 (0.43) ALDH1A1TSHRFFAR1HTTLMNA
SCHEMBL14762668 0.78 MAPT (0.48) ALDH1A1TSHRFFAR1KDM4EHTT
SCHEMBL11307778 0.78 FFAR1 (0.49) ALDH1A1TSHRFFAR1PPARALMNA
SCHEMBL28524514 0.77 FFAR1 (0.60) ALDH1A1TSHRFFAR1
SCHEMBL7156086 0.75 CACNA2D1 (0.51)
SCHEMBL8308822 0.72 HIF1A (0.44) FFAR1GAACYP3A4

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
EP-1992618-B1 POLYCYCLIC CINNAMIDE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2012-01-18 EP disclosed
US-7973033-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-07-05 US disclosed
US-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2011-05-12 US disclosed
US-7897632-B2 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-01 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-20110112138-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 ALDH1A1 1045/4885TSHR 4662/4885FFAR1 1082/4885

“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.