SCHEMBL19305342

SCHEMBL19305342

C=COC(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SRC P12931 2/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
PPARA Q07869 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
PPARG P37231 1/20 0.41
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKT1 P31749 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
SCHEMBL8920033 0.83 ALDH1A1 (0.57) CYP2C19LMNAALDH1A1CYP3A4CYP1A2
Benzene SCHEMBL28174562 0.82 CYP2D6 (0.52) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL3036250 0.82 CYP2D6 (0.52) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL18220934 0.82 CYP2D6 (0.52) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL3036253 0.82 CYP2D6 (0.52) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL9340068 0.77 HCAR2 (0.41) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL8364617 0.77 CYP2C19 (0.44) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL8400939 0.76 SRC (0.54) SRCCYP2D6LMNAMAPK1PPARA
SCHEMBL1694927 0.76 CYP2C19 (0.51) CYP2C19SRCCYP2D6LMNAMAPK1
SCHEMBL974061 0.74 SRC (0.52) SRCCYP2D6LMNAMAPK1PPARA

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-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-10131679-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2018-11-20 US disclosed
US-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES, LTD. (JP) 2017-11-02 US disclosed
EP-3214086-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND Ube Industries, Ltd. (JP) 2017-09-06 EP 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-20170313727-A1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND QDPR, CYP2D6, DCLK3 CYP2C19 152/4885SRC 2855/4885CYP2D6 2/4885
US-10131679-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, DCLK3 CYP2C19 152/4885SRC 2855/4885CYP2D6 2/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 CYP2C19 158/4885SRC 2958/4885CYP2D6 2/4885

“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.