SCHEMBL22570331

SCHEMBL22570331

COc1ccc(F)c(C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
NNMT P40261 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 3/20 0.33
PDE2A O00408 1/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33
PDE4A P27815 1/20 0.33
PDE6B P35913 1/20 0.33
PDE6C P51160 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE6H Q13956 1/20 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
SCHEMBL24732488 0.82 PDE10A (0.33) POLBTDP1PDE10APDE2APDE6D
SCHEMBL25527130 0.78 CYP1A2 (0.42) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL22949459 0.78 CA1 (0.36) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL21719170 0.76 HPGD (0.36) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL11955243 0.76 ALOX15 (0.39) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL21719172 0.76 POLB (0.34) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL17494719 0.75 KMT2A (0.39) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL13058585 0.75
SCHEMBL20687485 0.74 PTGS2 (0.37) POLBTDP1PDE10APDE2APDE6D
SCHEMBL21718450 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956320-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-11-29 EP disclosed
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-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2020-10-22 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 (3 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 POLB 621/4885TDP1 469/4885SIRT2 772/4885
US-20220298137-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD POLB 621/4885TDP1 469/4885SIRT2 772/4885
US-20200331881-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD POLB 621/4885TDP1 469/4885SIRT2 772/4885

“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.