SCHEMBL12407192

SCHEMBL12407192

COCC(C)OC(=O)Nc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 5/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.43
NLRP1 Q9C000 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17346687 0.86 MAPT (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14466318 0.86 MAPT (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4843503 0.86 MAPT (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10192051 0.84 ALDH1A1 (0.55) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL750595 0.84 MAPT (0.49) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12630965 0.81 SMN1; SMN2 (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10192163 0.80 NPC1 (0.69) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17342575 0.79 MAPT (0.45) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
P-Xylene SCHEMBL19411060 0.78 LMNA (0.42) ALDH1A1MAPTSMN1; SMN2HPGDTDP1
SCHEMBL12994645 0.78 EBP (0.51) ALDH1A1MAPTNPC1RAB9ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973069-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100292187-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-11-18 US disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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-20100292187-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MAPT 4477/4885NPC1 87/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS ALDH1A1 1497/4885MAPT 4477/4885NPC1 87/4885

“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.