SCHEMBL23511564

SCHEMBL23511564

Cc1nccc2[nH]c(C(C)C)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
DHFR P00374 1/20 0.43
SLC2A1 P11166 1/20 0.43
MAOA P21397 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL29301807 0.81 DHFR (0.42) PDE3BPDE3ADHFRSLC2A1KDM4E
SCHEMBL22533671 0.78 DHFR (0.40) PDE3BPDE3ADHFRSLC2A1MAOA
SCHEMBL17531158 0.77 PDE3B (0.56) PDE3BPDE3AMAOAKDM4EALDH1A1
SCHEMBL26144292 0.71 PDE3B (0.50) PDE3BPDE3AMAOAKDM4EALDH1A1
SCHEMBL19737437 0.70 DAO (0.50) PDE3BPDE3ADHFRSLC2A1ALDH1A1
SCHEMBL17538626 0.70 PDE3B (0.49) PDE3BPDE3AMAOAKDM4EALDH1A1
SCHEMBL14327807 0.69 DAO (0.49) PDE3BPDE3ADHFRSLC2A1MAPT
SCHEMBL10809624 0.69 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL4394655 0.69 PDE3B (0.51) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL10812608 0.69 PDE3B (0.60) PDE3BPDE3AMAOAKDM4EALDH1A1

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-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 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-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 PDE3B 2819/4885PDE3A 2618/4885DHFR 4490/4885

“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.