SCHEMBL3929487

SCHEMBL3929487

CC(C)(C)n1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
HCAR3 P49019 5/20 0.48
RXRA P19793 1/20 0.44
KDM4E B2RXH2 2/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
PLA2G4A P47712 2/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RARA P10276 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL28142899 0.89 RAPGEF4 (0.47) RAPGEF4HCAR3RXRAKDM4ERARB
SCHEMBL3922411 0.87 HCAR3 (0.44) RAPGEF4HCAR3RXRAKDM4ERARB
SCHEMBL26440956 0.84 RAPGEF4 (0.44) RAPGEF4HCAR3RXRAKDM4EPLA2G4A
SCHEMBL26440951 0.83 KDM4E (0.44) KDM4EHSD17B10HTTHPGDTDP1
SCHEMBL26433123 0.81 GABRA1 (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5068301 0.78 RAPGEF4 (0.46) RAPGEF4HCAR3RXRAKDM4ERARB
SCHEMBL30233739 0.77 TUBB4A (0.56) RAPGEF4HCAR3RXRAKDM4ETUBB4A
SCHEMBL103922 0.77 TUBB4A (0.56) RAPGEF4HCAR3RXRAKDM4ETUBB4A
SCHEMBL5070880 0.76 PLA2G4A (0.48) RAPGEF4HCAR3RXRAKDM4EPLA2G4A
SCHEMBL31335989 0.75 RAPGEF4 (0.49) RAPGEF4HCAR3RXRAKDM4EPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 US disclosed
US-7608633-B2 Heteroaryl-substituted acetone derivatives as inhibitors of phospholipase A2 MERCKLE GMBH (DE) 2009-10-27 US disclosed
EP-1590324-B1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2009-03-11 EP disclosed
US-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 MERCKLE GMBH (DE) 2006-06-29 US disclosed
EP-1590324-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A sb 2 /sb MERCKLE GMBH (DE) 2005-11-02 EP disclosed
WO-2004069797-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES AS INHIBITORS OF PHOSPHOLIPASE A2 MERCKLE GMBH (DE) 2004-08-19 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 (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-20060142366-A1 Novel heteroaryl-substituted acetone derivatives as inhibitors of phospholipase a2 PLD2, PLA2G1B, PLA2G4A RAPGEF4 239/4885HCAR3 1060/4885RXRA 2136/4885
US-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 RAPGEF4 1781/4885HCAR3 1573/4885RXRA 1277/4885

“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.