SCHEMBL21366412

SCHEMBL21366412

COC(=O)c1ncc(C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAF1 P04049 13/20 0.38
MAPK14 Q16539 6/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL20711411 0.81 HPGD (0.44) ALDH1A1HPGDTSHRNPSR1KDM4E
SCHEMBL8964947 0.79 HCAR2 (0.39) MAPK1ALDH1A1HPGDTSHRNPSR1
SCHEMBL14684024 0.79 ALDH1A1 (0.41) MAPK1ALDH1A1TSHRNPSR1
SCHEMBL2678390 0.77 ALDH1A1 (0.37) MAPK1ALDH1A1L3MBTL1HPGDTSHR
SCHEMBL15751264 0.76 CLK1 (0.35) MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL5010782 0.76 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1HPGDTSHR
SCHEMBL24958731 0.75 MAPK1 (0.44) MAPK1ALDH1A1L3MBTL1TSHRATM
SCHEMBL130301 0.75 MAPK1 (0.44) MAPK1ALDH1A1L3MBTL1ATMKDM4E
SCHEMBL13260686 0.73 MAPK1 (0.43) MAPK1ALDH1A1L3MBTL1HPGDTSHR
SCHEMBL24369745 0.73 ALDH1A1 (0.46) MAPK1ALDH1A1L3MBTL1HPGDTSHR

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-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR ARIAGEN, INC. (US) 2019-09-19 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-20190284149-A1 ARYL HYDROCARBON RECEPTOR MODULATOR AHR, ARNT, NR1H4 MAPK1 2003/4885ALDH1A1 488/4885L3MBTL1 3264/4885

“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.