SCHEMBL24513009

SCHEMBL24513009

O=Cc1ccc(Oc2ccc(F)c(OC(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP3 Q9Y6F1 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ KDR P35968 2/20 0.36
▸ SOS1 Q07889 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.34
▸ TTR P02766 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL24181346 0.88 EPHX2 (0.43) PARP10PARP3POLBCASP6KIF11
SCHEMBL3621190 0.84 ALDH1A1 (0.44) POLBKIF11ALDH1A1SMN1; SMN2TTR
SCHEMBL9107960 0.84 ALDH1A1 (0.40) PARP10PARP3POLBCASP6ALDH1A1
SCHEMBL24512750 0.82 KIF11 (0.42) PARP10PARP3POLBKIF11ALDH1A1
SCHEMBL24512633 0.81 ALDH1A1 (0.40) PARP10PARP3ALDH1A1KDM4ELMNA
SCHEMBL24512665 0.81 SCN3A (0.48) PARP10PARP3POLBCASP6ALDH1A1
SCHEMBL1744566 0.80 PARP10 (0.50) PARP10PARP3POLBCASP6ALDH1A1
SCHEMBL15533987 0.80 ALDH1A1 (0.47) PARP10POLBALDH1A1SMN1; SMN2SOS1
SCHEMBL4853836 0.79 SOS1 (0.54) PARP10PARP3POLBCASP6KIF11
SCHEMBL31238504 0.79 SOS1 (0.54) PARP10PARP3POLBCASP6KIF11

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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 — — 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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 PARP10 356/4885PARP3 854/4885POLB 3262/4885

“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.

Send feedback