SCHEMBL3844375

SCHEMBL3844375

O=C1CNc2ccc(OCCCCc3nnnn3C3CCCCC3)cc2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.70
PDE3B Q13370 9/20 0.70
PDE3A Q14432 9/20 0.70
TSHR P16473 6/20 0.70
LMNA P02545 4/20 0.70
SMN1; SMN2 Q16637 4/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
ABCC4 O15439 1/20 0.70
CACNA1F O60840 1/20 0.70
ABCB11 O95342 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CYP2C9 P11712 1/20 0.70
MAPK1 P28482 1/20 0.70
THPO P40225 1/20 0.70
OPRK1 P41145 1/20 0.70
BLM P54132 1/20 0.70

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
SCHEMBL9368060 0.84 PDE3B (0.74) ALDH1A1PDE3BPDE3ATSHRLMNA
Cilostazol SCHEMBL1818013 0.83 PDE3B (1.00) ALDH1A1PDE3BPDE3ATSHRLMNA
Cilostazol SCHEMBL16128 0.83 PDE3B (1.00) ALDH1A1PDE3BPDE3ATSHRLMNA
Cilostazol SCHEMBL29389547 0.83 PDE3B (1.00) ALDH1A1PDE3BPDE3ATSHRLMNA
SCHEMBL27646408 0.81 PDE3B (0.64) ALDH1A1PDE3BPDE3ATSHRLMNA
Cilostazol SCHEMBL5798390 0.80 PDE3B (0.93) ALDH1A1PDE3BPDE3ATSHRLMNA
SCHEMBL7307973 0.80 PDE3B (0.94) ALDH1A1PDE3BPDE3ATSHRLMNA
Cilostazol SCHEMBL5798394 0.79 PDE3B (0.92) ALDH1A1PDE3BPDE3ATSHRLMNA
SCHEMBL24668909 0.79 PDE3B (0.80) ALDH1A1PDE3BPDE3ATSHRLMNA
SCHEMBL12116425 0.79 PDE3B (0.86) ALDH1A1PDE3BPDE3ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 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 (2 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-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D ALDH1A1 1368/4885PDE3B 15/4885PDE3A 18/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ALDH1A1 1378/4885PDE3B 21/4885PDE3A 32/4885

“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.