SCHEMBL6536240

SCHEMBL6536240

CC(=O)NC(C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HSP90AA1 P07900 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
POLB P06746 1/20 0.44
GLS O94925 1/20 0.43
HSD17B10 Q99714 3/20 0.42
NAPRT Q6XQN6 1/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL10120386 1.00 MAPT (0.44) MAPTHSP90AA1GPR55POLBGLS
SCHEMBL4599090 0.88 CYP1A2 (0.37) MAPTHSP90AA1GPR55POLBGLS
SCHEMBL9171132 0.84 HSP90AA1 (0.41) MAPTHSP90AA1GPR55HSD17B10NAPRT
SCHEMBL8906619 0.83 CYP2D6 (0.49) MAPTHSP90AA1GPR55ALDH1A1KMT2A
SCHEMBL8907572 0.83 CYP2D6 (0.49) MAPTHSP90AA1GPR55ALDH1A1KMT2A
SCHEMBL8907549 0.83 FPR2 (0.44) MAPTHSP90AA1GPR55HSD17B10ALDH1A1
SCHEMBL8909273 0.83 CYP2D6 (0.49) MAPTHSP90AA1GPR55ALDH1A1KMT2A
SCHEMBL8907649 0.81 ALDH1A1 (0.45) MAPTHSP90AA1GPR55POLBHSD17B10
SCHEMBL4250144 0.81 SRC (0.52) POLBMTNR1AMTNR1BSRCALDH1A1
SCHEMBL3376625 0.81 SRC (0.52) POLBMTNR1AMTNR1BSRCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110300104-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-6713523-B2 DECOLORING DYES FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20020168494-A1 Photopolymerizable composition and photosensitive thermal recording material FUJI PHOTO FILM CO., LTD. 2002-11-14 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-20110300104-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 MAPT 4133/4885HSP90AA1 1856/4885GPR55 2888/4885

“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.