SCHEMBL19212910

SCHEMBL19212910

COc1cc(C)cc(OC(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 4/20 0.45
NCEH1 Q6PIU2 1/20 0.44
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
LMNA P02545 4/20 0.43
CYP2D6 P10635 2/20 0.43
ADRB2 P07550 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 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
SCHEMBL18058841 0.92 RAB9A (0.61) RAB9AALDH1A1NCEH1BCHEACHE
SCHEMBL10093728 0.92 RAB9A (0.61) RAB9AALDH1A1NCEH1BCHEACHE
3,5-Dimethylphenyl Dimethylcarbamate SCHEMBL28229857 0.88 RAB9A (0.61) RAB9AALDH1A1NCEH1BCHEACHE
SCHEMBL3550177 0.81 RAB9A (0.48) RAB9AALDH1A1BCHEACHELMNA
SCHEMBL14707645 0.79 LMNA (0.55) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL11564256 0.78 RAB9A (0.42) RAB9ANCEH1BCHEACHELMNA
SCHEMBL384794 0.78 ALDH1A1 (0.41) RAB9AALDH1A1ACHELMNACYP2C19
SCHEMBL12501 0.74 ALDH1A1 (0.73) ALDH1A1ACHECYP2D6CYP2C19KDM4E
M-Tolyl Dimethylcarbamate SCHEMBL8926857 0.74 LMNA (0.65) RAB9ANCEH1BCHEACHELMNA
SCHEMBL9967360 0.74 KMT2A (0.63) RAB9AALDH1A1LMNACYP2C19KMT2A

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-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 US disclosed
US-9937167-B2 SHIP1 modulators and methods related thereto AQUINOX PHARMACEUTICALS (CANADA) INC. (CA) 2018-04-10 US disclosed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 US disclosed
US-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO NEOLEUKIN THERAPEUTICS, INC. 2017-08-10 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-20170224682-A1 SHIP1 MODULATORS AND METHODS RELATED THERETO PPP1R1B, PPM1A, PPM1D RAB9A 724/4885ALDH1A1 1497/4885NCEH1 468/4885

“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.