SCHEMBL20021715

SCHEMBL20021715

CC(C)CCCCOc1ccc(C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
RARB P10826 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 1/20 0.47
SLC2A1 P11166 2/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
EPHX2 P34913 1/20 0.44
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
TP53 P04637 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 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
SCHEMBL10593412 0.90 MEN1 (0.62) TDP1MEN1KMT2AKDM4ENPC1
SCHEMBL11951590 0.88 TDP1 (0.71) TDP1MEN1KMT2AKDM4EMAPK1
SCHEMBL13568875 0.88 MEN1 (0.61) TDP1MEN1KMT2AKDM4ESLC2A1
SCHEMBL14579974 0.86 MEN1 (0.62) TDP1MEN1KMT2AKDM4ESLC2A1
SCHEMBL9860144 0.85 TDP1 (0.79) TDP1RARBKMT2AKDM4ESLC2A1
SCHEMBL7862607 0.85 RARB (0.55) TDP1RARBMAPK1
SCHEMBL12879356 0.84 RARB (0.58) TDP1RARBSLC2A1MAPK1TP53
SCHEMBL10824702 0.83 KMT2A (0.59) TDP1MEN1KMT2AKDM4ESLC2A1
SCHEMBL7861361 0.83 RARB (0.54) TDP1RARB
SCHEMBL7863953 0.83 RARB (0.54) TDP1RARB

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-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL TDP1 4771/4885RARB 1627/4885MEN1 2401/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL TDP1 4771/4885RARB 1627/4885MEN1 2401/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TDP1 4771/4885RARB 1627/4885MEN1 2401/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TDP1 4771/4885RARB 1627/4885MEN1 2401/4885

“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.