SCHEMBL3983080

SCHEMBL3983080

CCOC(=O)C1C2CCCCCC21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
PPM1B O75688 1/20 0.49
PTPN1 P18031 1/20 0.49
PPP1CC P36873 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.40
HSD11B1 P28845 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
FKBP1A P62942 2/20 0.39

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
SCHEMBL3983188 1.00 ALDH1A1 (0.49) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL9537641 0.98 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL25467328 0.98 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL5791356 0.98 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL9843585 0.98 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL3985705 0.94 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL26077288 0.94 PPM1B (0.50) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL15712143 0.89 PPM1B (0.53) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL1196439 0.82 ALDH1A1 (0.45) ALDH1A1PPM1BPTPN1PPP1CCNPC1
SCHEMBL360031 0.82 PPM1B (0.47) ALDH1A1PPM1BPTPN1PPP1CCNPC1

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 6 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
EP-1562575-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY Abbott Laboratories (US) 2005-08-17 EP disclosed
US-20040209859-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-10-21 US disclosed
WO-2004037241-A1 FUSED CYCLOALKYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS FOR THE TREATMENT OF I.A. EPILEPSY ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications ABBOTT LABORATORIES 2004-04-22 US disclosed
EP-0421752-A2 Substituted acrylamido-penicillanic acid derivatives Beecham Group p.l.c. (GB) 1991-04-10 EP 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 ALDH1A1 529/4885PPM1B 2811/4885PTPN1 4751/4885
US-20040077617-A1 Fused cycloalkyl amides and acids and their therapeutic applications GRIN2A, GRIK1, GRIN2B ALDH1A1 529/4885PPM1B 2811/4885PTPN1 4751/4885

“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.