SCHEMBL21654079

SCHEMBL21654079

CC(C)(C)CCc1ccc(C(=O)O)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
POLB P06746 7/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
NR4A1 P22736 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
DUSP3 P51452 1/20 0.45
PTPN5 P54829 1/20 0.45
PTPN11 Q06124 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL20111205 0.81 TDP1 (0.60) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13841169 0.79 TDP1 (0.62) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27313148 0.77 TDP1 (0.70) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL13379467 0.76 TDP1 (0.58) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL6364915 0.76 TDP1 (0.58) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL12581339 0.76 TDP1 (0.49) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL17537931 0.76 TDP1 (0.62) TDP1POLBSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27484038 0.76 TDP1 (0.62) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL27381621 0.76 TDP1 (0.62) TDP1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL9487415 0.75 TDP1 (0.56) TDP1POLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993938-B2 Lactam compound, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-05-04 US disclosed
US-20200030312-A1 Lactam Compound, Preparation Method and Use thereof OCEAN UNIVERSITY OF CHINA (CN) 2020-01-30 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 (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-20200030312-A1 Lactam Compound, Preparation Method and Use thereof FURIN, PEPD, PIN1 TDP1 3073/4885POLB 1078/4885NPC1 810/4885
US-10993938-B2 Lactam compound, preparation method and use thereof FURIN, PEPD, PIN1 TDP1 3073/4885POLB 1078/4885NPC1 810/4885

“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.