SCHEMBL3207844

SCHEMBL3207844

CC(C)COc1ccc[c]c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
HTR2C P28335 1/20 0.40
TLR8 Q9NR97 1/20 0.36
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL919738 0.85 MCHR1 (0.43) TLR8MAPTPDE4APDE4BPDE4C
SCHEMBL921577 0.83 HTT (0.45) ALDH1A1TLR8MAPTSMN1; SMN2POLB
SCHEMBL676560 0.80 ALDH1A1 (0.40) ALDH1A1GAAHTR2CTLR8MAPT
SCHEMBL21708113 0.80 HTR2C (0.41) ALDH1A1GAAHTR2CTLR8MAPT
SCHEMBL160177 0.79 L3MBTL1 (0.46) ALDH1A1GAAHTR2CMAPTATM
SCHEMBL920758 0.76 L3MBTL1 (0.40) ALDH1A1GAAHTR2CTLR8MAPT
SCHEMBL161636 0.76 IRAK4 (0.38) ALDH1A1TLR8MAPTMEN1KMT2A
SCHEMBL14814872 0.75 L3MBTL1 (0.39) GAAMAPTKDM1APOLBHPGD
SCHEMBL921028 0.75 CYP1A2 (0.49) GAATLR8MAPTMEN1KMT2A
SCHEMBL15474650 0.75 CYP3A4 (0.36) ALDH1A1GAATLR8MAPTMEN1

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
CN-111132976-A Compounds, salts thereof and methods for treating diseases 阿卡蒂亚药品公司 2020-05-08 CN disclosed
US-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-18 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-20100041694-A1 AGRICULTURAL COMPOSITION FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENIC MICROBES HDHD5, NAAA, BROX ALDH1A1 3801/4885GAA 920/4885HTR2C 4635/4885

“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.