SCHEMBL18329508

SCHEMBL18329508

O=C(O)c1c(F)ccc2c1OCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
CAT P04040 1/20 0.41
DAO P14920 1/20 0.38
RORC P51449 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ERN1 O75460 1/20 0.33
NOTUM Q6P988 2/20 0.33
KDM4C Q9H3R0 1/20 0.32
KAT6A Q92794 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8948607 0.90 CAT (0.40) PARP1CATRORCNOTUMALDH1A1
SCHEMBL27253971 0.81 PARP1 (0.45) PARP1DAOFABP4XDHSLC22A12
SCHEMBL27253972 0.79 PARP1 (0.44) PARP1DAORORCFABP3FABP4
SCHEMBL30507841 0.77 KDM4E (0.44) CATRORCFABP3FABP4MAPT
SCHEMBL29054677 0.77 KDM4E (0.44) CATRORCFABP3FABP4MAPT
SCHEMBL23862477 0.76 PARP1 (0.47) PARP1DAOFABP3FABP4XDH
SCHEMBL17079874 0.75 MEN1 (0.38) PARP1DAOERN1ALDH1A1HSD17B10
SCHEMBL30507834 0.75 NPC1 (0.43) CATRORCKDM4EALDH1A1HPGD
SCHEMBL29054687 0.75 NPC1 (0.43) CATRORCKDM4EALDH1A1HPGD
SCHEMBL18089450 0.74 CAT (0.47) CATNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
US-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2019-08-22 US disclosed
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2019-04-30 US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 US disclosed
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 2018-07-05 US disclosed
EP-3309163-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE UBE Industries, Ltd. (JP) 2018-04-18 EP disclosed
WO-2016204153-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE 宇部興産株式会社 2016-12-22 WO 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-20190256531-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 PARP1 2296/4885CAT 3954/4885DAO 1802/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 PARP1 2296/4885CAT 3954/4885DAO 1802/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 PARP1 2296/4885CAT 3954/4885DAO 1802/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 PARP1 2296/4885CAT 3954/4885DAO 1802/4885

“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.