SCHEMBL21719170

SCHEMBL21719170

COc1ccc(Cl)c(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
PDE2A O00408 9/20 0.34
PDE10A Q9Y233 9/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PDE7A Q13946 1/20 0.34
CCR9 P51686 2/20 0.33
PDE6D O43924 2/20 0.33
PDE6A P16499 2/20 0.33
PDE6G P18545 2/20 0.33
PDE6B P35913 2/20 0.33
PDE6C P51160 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE6H Q13956 2/20 0.33

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
SCHEMBL18668223 0.85 HPGD (0.38) HPGDTSHRSMN1; SMN2HSD17B10RAB9A
SCHEMBL22949459 0.78 CA1 (0.36) HPGDALDH1A1PDE2APDE10APOLB
SCHEMBL22570331 0.76 POLB (0.34) TSHRPDE2APDE10APOLBTDP1
SCHEMBL21719172 0.76 POLB (0.34) ALDH1A1PDE10APOLBTDP1SIRT2
SCHEMBL11955243 0.76 ALOX15 (0.39) HPGDHSD17B10ALDH1A1HTTPOLB
SCHEMBL24709252 0.75 S1PR4 (0.31)
SCHEMBL18676759 0.74 TDP1 (0.38) HPGDSMN1; SMN2HSD17B10RAB9AALDH1A1
SCHEMBL14372218 0.74 MTNR1A (0.37) HPGDTSHRSMN1; SMN2HSD17B10RAB9A
SCHEMBL13990317 0.74 CRHBP (0.39) TSHRRIPK2
SCHEMBL29581181 0.74 HPGD (0.40) HPGDTSHRSMN1; SMN2HSD17B10RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2022-09-22 US disclosed
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-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (5 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-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD HPGD 54/4885TSHR 4034/4885SMN1; SMN2 3587/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD HPGD 54/4885TSHR 4034/4885SMN1; SMN2 3587/4885
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK HPGD 159/4885TSHR 2711/4885SMN1; SMN2 3624/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD HPGD 54/4885TSHR 4034/4885SMN1; SMN2 3587/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK HPGD 159/4885TSHR 2711/4885SMN1; SMN2 3624/4885

“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.