SCHEMBL2116117

SCHEMBL2116117

COCOc1ccc(F)cc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER1 P34995 1/20 0.36

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
SCHEMBL2908313 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL8681344 0.83 ALDH1A1 (0.38) MEN1KMT2APKMALDH1A1GAA
SCHEMBL16960532 0.82 MAPK1 (0.43) MAPK1HSD17B10ALDH1A1GAAPTGDR2
SCHEMBL29598848 0.81 HSD17B10 (0.53) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL23362831 0.80 ALDH1A1 (0.41) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL30296208 0.80 ALDH1A1 (0.41) HSD17B10MEN1KMT2APKMALDH1A1
SCHEMBL17551834 0.79 MAPT (0.59) MEN1KMT2APKMALDH1A1PTGDR2
SCHEMBL30152364 0.79 PTGDR2 (0.59) MAPK1HSD17B10MEN1KMT2AALDH1A1
SCHEMBL8712221 0.79 PTGDR2 (0.59) MAPK1HSD17B10MEN1KMT2AALDH1A1
SCHEMBL2116744 0.79 SLC6A4 (0.36) MEN1KMT2APKMALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257189-A1 MACROCYCLES FOR TREATING DISEASE Turning Point Therapeutics, Inc. (US) 2020-12-24 WO disclosed
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
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-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
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 US disclosed
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US disclosed
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 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 (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 MAPK1 1433/4885HSD17B10 2025/4885PDE4A 2506/4885

“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.