SCHEMBL4179282

SCHEMBL4179282

CC(C)(C)C(=O)CCCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.43
KDM5A P29375 2/20 0.41
PHF8 Q9UPP1 2/20 0.41
KDM2A Q9Y2K7 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM4A O75164 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
FKBP1A P62942 1/20 0.40
EPHX1 P07099 1/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 1/20 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
SCHEMBL13246790 0.94 KDM5A (0.47) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL13246792 0.92 KDM5A (0.50) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL13246791 0.92 KDM5A (0.50) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL9964629 0.90 KDM5A (0.49) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL4178019 0.88 HPGD (0.50) CYP1A2HPGDNPC1RAB9AEPHX1
SCHEMBL13543224 0.85 HPGD (0.47) CYP1A2HPGDNPC1RAB9AHSD11B1
SCHEMBL4170837 0.82 POLB (0.41) CYP1A2HPGD
SCHEMBL17445694 0.81 HPGD (0.42) CYP1A2HPGDHSD11B1SMN1; SMN2
SCHEMBL11241149 0.80 CYP1A2 (0.41) CYP1A2HPGDKDM5APHF8KDM2A
SCHEMBL9668398 0.79 CYP1A2 (0.52) CYP1A2HPGDKDM5APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315454-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-19 US disclosed
US-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 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-20120316173-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, OPRL1 CYP1A2 638/4885HPGD 662/4885KDM5A 4191/4885
US-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 CYP1A2 591/4885HPGD 1505/4885KDM5A 1242/4885

“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.