SCHEMBL12190635

SCHEMBL12190635

C#C[C@@H](C)COc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42

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
SCHEMBL16168405 0.84 KDM4E (0.49) L3MBTL1KDM4EMAOBAOC3MRGPRX4
SCHEMBL2608844 0.83 KDM4E (0.54) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL817449 0.82 KDM4E (0.48) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL3148903 0.82 KDM4E (0.48) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL817454 0.82 KDM4E (0.48) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL817865 0.80 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL4046553 0.80 KDM4E (0.56) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL9988187 0.80 HTR2A (0.57) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL14227154 0.80 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1GAAMAOB
SCHEMBL19750630 0.80 KDM4E (0.56) L3MBTL1KDM4EALDH1A1GAAMAOB

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
US-8030514-B2 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2011-10-04 — — US disclosed
US-20090299088-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATIONS OF PROSTAGLANDINS CHIROGLATE INTERNATIONAL INC. 2009-12-03 — — US disclosed
US-7626024-B2 Processes and intermediates for the preparations of prostaglandins Irogate International Inc. (CN) 2009-12-01 — — US disclosed
US-7582779-B2 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. (TW) 2009-09-01 — — US disclosed
US-7511168-B2 Processes and intermediates for the preparations of prostaglandins Wei, Shih-Yi (TW) 2009-03-31 — — US disclosed
US-20080039637-A1 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. 2008-02-14 — — US disclosed
US-20080039627-A1 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. 2008-02-14 — — US disclosed
US-20070167641-A1 Processes and intermediates for the preparations of prostaglandins CHIROGATE INTERNATIONAL INC. 2007-07-19 — — 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 (4 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-20090299088-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATIONS OF PROSTAGLANDINS PTGES, PTGER1, PTGIS L3MBTL1 4514/4885KDM4E 2828/4885ALDH1A1 1592/4885
US-20070167641-A1 Processes and intermediates for the preparations of prostaglandins PTGES, PTGER1, PTGIS L3MBTL1 4514/4885KDM4E 2828/4885ALDH1A1 1592/4885
US-20080039637-A1 Processes and intermediates for the preparations of prostaglandins PTGES, PTGER1, PTGIS L3MBTL1 4514/4885KDM4E 2828/4885ALDH1A1 1592/4885
US-20080039627-A1 Processes and intermediates for the preparations of prostaglandins PTGES, PTGER1, PTGIS L3MBTL1 4514/4885KDM4E 2828/4885ALDH1A1 1592/4885

“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.

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