SCHEMBL18281745

SCHEMBL18281745

C=C(C(=O)OC)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.53
CES1 P23141 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SNCA P37840 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL27301248 0.83 SLC6A4 (0.43) CES2CES1L3MBTL1GAAALDH1A1
SCHEMBL21807118 0.83 SMN1; SMN2 (0.43) GAAALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL27696670 0.83 DGAT1 (0.53) L3MBTL1GAAALDH1A1MAPTRAB9A
SCHEMBL3184249 0.82 CES2 (0.68) CES2CES1L3MBTL1GAAALDH1A1
SCHEMBL27736558 0.81 AR (0.45) CES2CES1GAAALDH1A1KDM4E
SCHEMBL25108817 0.80 SMN1; SMN2 (0.46) GAAMAPTRAB9ASMN1; SMN2NPC1
SCHEMBL27634442 0.80 KEAP1 (0.36) CES2CES1ALDH1A1
SCHEMBL12157631 0.79 ALDH1A1 (0.52) CES2CES1L3MBTL1GAAALDH1A1
SCHEMBL14012584 0.78 CES2 (0.61) CES2CES1L3MBTL1GAAALDH1A1
SCHEMBL10621241 0.78 CES2 (0.61) CES2CES1L3MBTL1ALDH1A1KDM4E

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-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2024-08-29 US disclosed
US-11981704-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2024-05-14 US disclosed
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2022-01-06 US disclosed
US-11136349-B2 Decarboxylative conjugate additions and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-10-05 US disclosed
US-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2018-06-28 US disclosed
WO-2016196931-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-12-08 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 (5 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-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT CES2 2119/4885CES1 1954/4885L3MBTL1 2802/4885
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT CES2 2119/4885CES1 1954/4885L3MBTL1 2802/4885
US-20240287129-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT CES2 2119/4885CES1 1954/4885L3MBTL1 2802/4885
US-11981704-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT CES2 2119/4885CES1 1954/4885L3MBTL1 2802/4885
US-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT CES2 2119/4885CES1 1954/4885L3MBTL1 2802/4885

“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.