SCHEMBL21719035

SCHEMBL21719035

C=CCOc1cccc(Br)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTR2A P28223 3/20 0.37
SLC22A1 O15245 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 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
SCHEMBL21718888 0.83 ALDH1A1 (0.49) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21719037 0.82 ADRA2A (0.42) LIG1ADRA2AADRA2BADRA2CHPGD
SCHEMBL22140452 0.82 ADRA2A (0.39) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21719009 0.81 ADRA2A (0.41) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21719138 0.81 HTR2C (0.44) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21719008 0.81 HTR2C (0.45) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21719098 0.80 ALDH1A1 (0.41) MEN1KMT2AHPGDTSHRHSD17B10
SCHEMBL11699516 0.78 LIG1 (0.46) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL21718436 0.77 ADRA2A (0.45) LIG1MEN1HTTKMT2AADRA2A
SCHEMBL930326 0.77 LIG1 (0.53) LIG1ADRA2AADRA2BADRA2CHPGD

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-09-14 US disclosed
US-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-04 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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 (4 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-20200172486-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CBR3, CBR1 LIG1 1227/4885MEN1 1439/4885HTT 2840/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK LIG1 1287/4885MEN1 511/4885HTT 432/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK LIG1 1287/4885MEN1 511/4885HTT 432/4885
US-11117863-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CBR3, CBR1 LIG1 1227/4885MEN1 1439/4885HTT 2840/4885

“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.