SCHEMBL18095732

SCHEMBL18095732

COC(OC)C(=O)C[C@@](O)(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MLYCD O95822 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MEN1 O00255 3/20 0.31

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
SCHEMBL18095625 1.00 LMNA (0.38) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095627 1.00 LMNA (0.38) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095628 0.88 ALDH1A1 (0.40) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095682 0.88 ALDH1A1 (0.40) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095704 0.88 ALDH1A1 (0.40) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095606 0.87 NPSR1 (0.39) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095605 0.87 NPSR1 (0.39) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095689 0.87 NPSR1 (0.39) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095729 0.86 MEN1 (0.40) LMNAMAPTALDH1A1KDM4ETP53
SCHEMBL18095631 0.86 MEN1 (0.40) LMNAMAPTALDH1A1KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10125074-B2 5-substituted-5-hydroxy-5-aryl-3-oxo-pentanoate derivatives and their enantiopure forms OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-11-13 — — US claimed
US-20180118648-A1 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-05-03 — — US claimed
WO-2016151990-A1 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-09-29 — — WO claimed
US-10125074-B2 5-substituted-5-hydroxy-5-aryl-3-oxo-pentanoate derivatives and their enantiopure forms OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-11-13 — — US disclosed
US-20180118648-A1 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2018-05-03 — — US disclosed
WO-2016151990-A1 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS OKINAWA INSTITUTE OF SCIENCE AND TECHNOLOGY SCHOOL CORPORATION (JP) 2016-09-29 — — WO 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 (2 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-10125074-B2 5-substituted-5-hydroxy-5-aryl-3-oxo-pentanoate derivatives and their enantiopure forms ADH5, ADH1A, ADH1C LMNA 3999/4885MAPT 3089/4885ALDH1A1 10/4885
US-20180118648-A1 5-SUBSTITUTED-5-HYDROXY-5-ARYL-3-OXO-PENTANOATE DERIVATIVES AND THEIR ENANTIOPURE FORMS ADH5, ADH1A, ADH1C LMNA 3999/4885MAPT 3089/4885ALDH1A1 10/4885

“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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