SCHEMBL18281690

SCHEMBL18281690

COC(=O)C(CC1CCCN1C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SLC6A3 Q01959 6/20 0.43
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL18281730 0.89 FFAR1 (0.46) ALDH1A1LMNA
SCHEMBL18297064 0.86 PREP (0.53) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL20296953 0.85 ATM (0.42) ATML3MBTL1
SCHEMBL18281715 0.82 MITF (0.52) ATMALDH1A1LMNATSHR
SCHEMBL18297065 0.80 NPSR1 (0.54) L3MBTL1ALDH1A1LMNAMEN1KMT2A
SCHEMBL19947268 0.79 ATM (0.47) ATML3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL20595779 0.79 CYP2D6 (0.61) LMNATSHR
SCHEMBL18281713 0.78 CHRM3 (0.40) ATML3MBTL1ALDH1A1
SCHEMBL19946992 0.77 L3MBTL1 (0.39) ATML3MBTL1
SCHEMBL3998594 0.77 KMT2A (0.49) ALDH1A1LMNAMEN1KMT2ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180179248-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ATM 2850/4885L3MBTL1 2802/4885ALDH1A1 436/4885
US-20220002342-A1 DECARBOXYLATIVE CONJUGATE ADDITIONS AND APPLICATIONS THEREOF PTMS, DNPEP, QPCT ATM 2850/4885L3MBTL1 2802/4885ALDH1A1 436/4885
US-11981704-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ATM 2850/4885L3MBTL1 2802/4885ALDH1A1 436/4885
US-11136349-B2 Decarboxylative conjugate additions and applications thereof PTMS, DNPEP, QPCT ATM 2850/4885L3MBTL1 2802/4885ALDH1A1 436/4885

“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.

Send feedback