SCHEMBL18329451

SCHEMBL18329451

CC(=O)c1ccc(F)cc1OCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
MAOA P21397 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL20510109 0.86 FFAR4 (0.52) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL12051096 0.82 ABCB1 (0.46) MAOBMAOAALDH1A1SMN1; SMN2MAPT
SCHEMBL12145867 0.82 PKM (0.49) ALDH1A1SMN1; SMN2HTTMAPTPSEN1
SCHEMBL22396845 0.80 NOTUM (0.48) ALDH1A1MAPTDDB1CRBNPOLB
SCHEMBL22688804 0.80 MAOB (0.47) MAOBMAOAALDH1A1SMN1; SMN2HTT
SCHEMBL30845513 0.80 MAOB (0.47) MAOBMAOAALDH1A1SMN1; SMN2HTT
SCHEMBL20060388 0.80 MAOB (0.47) MAOBMAOAALDH1A1SMN1; SMN2HTT
SCHEMBL4576504 0.79 PKM (0.64) ALDH1A1SMN1; SMN2HTTMAPTPOLB
SCHEMBL12466303 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTMAPTPSEN1
SCHEMBL1676964 0.77 PSEN1 (0.51) MAOBMAOAALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107735401-B Substituted dihydropyrrolopyrazole derivatives 宇部兴产株式会社 2021-08-31 CN disclosed
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative UBE INDUSTRIES, LTD. (JP) 2021-01-19 US disclosed
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-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-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
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
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 MAOB 1715/4885MAOA 2821/4885ALDH1A1 188/4885
US-10894798-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 MAOB 1715/4885MAOA 2821/4885ALDH1A1 188/4885
US-10273252-B2 Substituted dihydropyrrolopyrazole derivative QDPR, CYP11B2, CYP4F3 MAOB 1715/4885MAOA 2821/4885ALDH1A1 188/4885
US-20180186818-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE DERIVATIVE QDPR, CYP11B2, CYP4F3 MAOB 1715/4885MAOA 2821/4885ALDH1A1 188/4885

“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.