SCHEMBL13020168

SCHEMBL13020168

CC(C)(C)Oc1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARG P37231 1/20 0.40
IDO1 P14902 2/20 0.39
MRGPRX1 Q96LB2 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
MAOB P27338 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL6764211 0.84 IDO1 (0.37) HSD11B1RXRAIDO1SLC22A12MRGPRX4
SCHEMBL2186177 0.82 CYP2D6 (0.39) HSD11B1ADRA2AADRA2BADRA2CRXRA
SCHEMBL10922032 0.82 PPARG (0.40) HSD11B1ADRA2AADRA2BADRA2CRXRA
SCHEMBL9242571 0.81 HSD11B1 (0.53) HSD11B1ADRA2AADRA2BADRA2CRXRA
SCHEMBL6933536 0.81 ALDH1A1 (0.46) RXRARXRBRXRGLMNAALDH1A1
SCHEMBL29428931 0.80 CA1 (0.45) ADRA2BALDH1A1TDP1L3MBTL1
SCHEMBL3820431 0.80 CA1 (0.45) ADRA2BALDH1A1TDP1L3MBTL1
SCHEMBL11408980 0.79 MAPK1 (0.48) HSD11B1ADRA2AADRA2BADRA2CRXRA
SCHEMBL26019653 0.79 DRD2 (0.41) HSD11B1PPARGIDO1HTR1A
SCHEMBL255270 0.79 CA1 (0.55) ADRA2BPOLBLMNAALDH1A1TDP1

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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 HSD11B1 1342/4885ADRA2A 67/4885ADRA2B 214/4885

“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.