SCHEMBL1533059

SCHEMBL1533059

COC1(c2ccc(F)cc2)CCOC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
PTGS1 P23219 2/20 0.33
NR1I2 O75469 1/20 0.33
RORC P51449 1/20 0.33
OPRM1 P35372 1/20 0.33
AKR1B1 P15121 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL3679517 0.83 CYP2C9 (0.35)
SCHEMBL9850087 0.72 SIGMAR1 (0.41) OPRM1
SCHEMBL9850089 0.72 ATM (0.40)
SCHEMBL28580942 0.69 PTGS1 (0.38) HSD11B1PTGS1RORCOPRM1
SCHEMBL9721742 0.68 SLC6A3 (0.36) HSD11B1
SCHEMBL27538480 0.68 PTGS1 (0.36) PTGS1AKR1B1
SCHEMBL30211173 0.67 SMN1; SMN2 (0.42) OPRM1GAA
SCHEMBL6889536 0.65 LIPG (0.42) HSD11B1NR1I2RORCOPRM1
SCHEMBL577270 0.63 L3MBTL1 (0.35)
SCHEMBL1533060 0.62 HCAR3 (0.32) HSD11B1

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 8 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
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES KIMURA TEIJI 2010-07-01 US disclosed
US-7713993-B2 Multi-cycle cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-05-11 US disclosed
EP-1992618-A1 POLYCYCLIC CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2008-11-19 EP disclosed
US-20070219181-A1 Multi-cyclic cinnamide derivatives EISAI R&D MANAGEMENT CO., LTD. 2007-09-20 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 (3 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 HSD11B1 95/4885PTGS1 837/4885NR1I2 104/4885
US-20070219181-A1 Multi-cyclic cinnamide derivatives BACE1, APP, PSEN1 HSD11B1 95/4885PTGS1 837/4885NR1I2 104/4885
US-20100168095-A1 MULTI-CYCLIC CINNAMIDE DERIVATIVES BACE1, APP, PSEN1 HSD11B1 95/4885PTGS1 837/4885NR1I2 104/4885

“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.