SCHEMBL3989256

SCHEMBL3989256

CCOC(=O)C1C2CC(C)CC(C)C21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL19388646 0.83 PPM1B (0.44) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL20147252 0.83 PPM1B (0.44) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL1196516 0.75 PPM1B (0.47) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL3989746 0.74 PPM1B (0.44) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL3981113 0.74 PPP5C (0.38) PTPN1CYP1A2CYP2C19ALDH1A1
SCHEMBL5971797 0.73 PPM1B (0.37) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL13895570 0.73 PPM1B (0.37) PPM1BPTPN1PPP1CCCYP1A2TSHR
SCHEMBL1196053 0.73 TRPM8 (0.42) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL2979409 0.72 FPR2 (0.33) FPR2
SCHEMBL2974431 0.72 EPHX1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562575-B1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LAB (US) 2009-05-20 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 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-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B PPM1B 2811/4885PTPN1 4751/4885PPP1CC 3561/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B PPM1B 2811/4885PTPN1 4751/4885PPP1CC 3561/4885

“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.