SCHEMBL2118600

SCHEMBL2118600

COCOc1ccc([C@]2(CO)C[C@H]2COC(C)=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ACACB O00763 1/20 0.31
KCNH2 Q12809 1/20 0.31
EGFR P00533 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL2121022 0.85 HCRTR1 (0.33) HCRTR1HCRTR2EGFR
SCHEMBL22666390 0.76 SLC6A4 (0.42) HCRTR1HCRTR2KCNH2TSHR
SCHEMBL22666434 0.76 SLC6A4 (0.42) HCRTR1HCRTR2KCNH2TSHR
SCHEMBL2118783 0.76 SLC6A4 (0.42) HCRTR1HCRTR2KCNH2TSHR
SCHEMBL2118200 0.70 HCRTR1 (0.54) HCRTR1HCRTR2KCNH2
SCHEMBL15177888 0.67 SLC6A4 (0.42) HCRTR1HCRTR2KCNH2TSHR
SCHEMBL16406055 0.67 SLC6A4 (0.45) HCRTR1HCRTR2KCNH2TSHR
SCHEMBL2610708 0.66 HCRTR1 (0.53) HCRTR1HCRTR2KCNH2
SCHEMBL21873517 0.66 LMNA (0.50) EGFRALDH1A1MAPT
SCHEMBL2610706 0.65 ROR1 (0.31) CYP3A4CYP2D6TSHRCYP2C19ALDH1A1

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-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed
EP-2626350-A1 CYCLOPROPANE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2013-08-14 EP disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 HCRTR1 1/4885HCRTR2 2/4885ACACB 3977/4885

“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.