SCHEMBL3584691

SCHEMBL3584691

Cc1[nH]c(C(=O)OC(C)(C)C)c(C(C)C)c1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 5/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
STAT1 P42224 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 1/20 0.42
NR4A1 P22736 1/20 0.42
HTT P42858 3/20 0.42
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP1 P03956 1/20 0.41

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
SCHEMBL4203572 0.83 RAB9A (0.65) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL7119100 0.82 RAB9A (0.59) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL3575608 0.79 ALDH1A1 (0.42) MAPK1NPSR1ALDH1A1
SCHEMBL7121375 0.74 IGF1R (0.57) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL7122278 0.74 RAB9A (0.54) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL4205450 0.73 IGF1R (0.71) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL8053534 0.73 RAB9A (0.62) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL7120457 0.73 RAB9A (0.53) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL22548001 0.72 RAB9A (0.72) RAB9ANPC1KMT2ASMN1; SMN2MAPK1
SCHEMBL94596 0.72 IGF1R (0.59) RAB9ANPC1KMT2ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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 (1 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E RAB9A 2045/4885NPC1 1257/4885KMT2A 1816/4885

“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.