SCHEMBL3923672

SCHEMBL3923672

CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.55
ALDH1A1 P00352 4/20 0.55
SERPINE1 P05121 2/20 0.51
EPHX1 P07099 3/20 0.49
LMNA P02545 2/20 0.49
CYP19A1 P11511 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.45
TRPA1 O75762 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.44

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
SCHEMBL8991726 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL473782 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL17473729 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL12962519 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL10028312 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL5689239 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL16518819 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL5825056 1.00 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA
Hydrochloric Acid SCHEMBL8916611 0.98 P2RX4 (0.54) P2RX4ALDH1A1SERPINE1EPHX1LMNA
SCHEMBL16158123 0.87 P2RX4 (0.55) P2RX4ALDH1A1SERPINE1EPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797065-A4 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
EP-1797065-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029210-A2 ACYCLIC 1,3-DIAMINES AND USES THEREFOR SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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 (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-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 P2RX4 81/4885ALDH1A1 949/4885SERPINE1 3831/4885

“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.