SCHEMBL15466293

SCHEMBL15466293

CC(=O)OC1CCN(c2ccc(C3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 6/20 0.39
USP2 O75604 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ACACB O00763 4/20 0.35
GPR119 Q8TDV5 1/20 0.35
TSHR P16473 1/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL28006794 0.80 NOTUM (0.51) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL578192 0.80 MAPT (0.41) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL28006179 0.77 GFER (0.55) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL578125 0.77 ALDH1A1 (0.46) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL27950762 0.76 MAPT (0.70) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL7401896 0.75 HRH3 (0.62) MAPTALDH1A1CYP2C9HRH3ACACB
SCHEMBL19859008 0.74 ALDH1A1 (0.57) MAPTALDH1A1POLBCYP2C9CYP2C19
SCHEMBL28001502 0.74 KDM4E (0.50) MAPTALDH1A1POLBCYP2C9CYP2C19
Hydrochloric Acid SCHEMBL6207497 0.73 HRH3 (0.61) MAPTALDH1A1CYP2C9HRH3ACACB
Hydrochloric Acid SCHEMBL8632011 0.72 HRH3 (0.60) MAPTALDH1A1CYP2C9HRH3ACACB

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-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 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-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 MAPT 2002/4885ALDH1A1 2389/4885POLB 2642/4885

“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.