SCHEMBL6801757

SCHEMBL6801757

CCOC(=O)[C@@H]1CCC[C@H](NC(=O)c2c(C)noc2-c2c(F)cccc2Cl)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 2/20 0.43
GHSR Q92847 1/20 0.43
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 6/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39

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
SCHEMBL6642320 0.88 MAPT (0.43) MAPTTP53POLBGHSRTSHR
SCHEMBL6797604 0.88 MAPT (0.57) MAPTTP53POLBGHSRTSHR
SCHEMBL6644456 0.81 ACACB (0.40) MAPTTP53POLBGHSRALDH1A1
SCHEMBL6774056 0.81 KMT2A (0.42) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL6638957 0.81 KMT2A (0.42) POLBKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL6801760 0.79 GHSR (0.41) MAPTTP53POLBGHSRALDH1A1
SCHEMBL5774786 0.78 ALDH1A1 (0.56) MAPTTP53POLBTSHRKDM4E
SCHEMBL7509719 0.78 GHSR (0.45) MAPTTP53POLBGHSRKDM4E
SCHEMBL6636640 0.78 GHSR (0.65) MAPTTP53POLBGHSRTSHR
SCHEMBL6640564 0.77 POLB (0.46) MAPTPOLBKDM4E

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-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-20040010005-A1 Stereoselective process for preparing cylcohexyl amine derivatives BARNETT CHARLES JACKSON (US) 2004-01-15 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 MAPT 4012/4885TP53 2033/4885POLB 2053/4885
US-20040010005-A1 Stereoselective process for preparing cylcohexyl amine derivatives ALKBH3, AZI2, ALKBH1 MAPT 4576/4885TP53 4705/4885POLB 545/4885

“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.