SCHEMBL4166496

SCHEMBL4166496

CC(C)(C)C(=O)C(Br)CC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 3/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL22162343 0.81 MEN1 (0.38) SMN1; SMN2USP2KMT2AALDH1A1MEN1
SCHEMBL29018459 0.80 USP2 (0.40) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL22145206 0.80 USP2 (0.40) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL4161903 0.75 CTSK (0.37) HPGDKMT2AALDH1A1MEN1
SCHEMBL4168739 0.72 GCK (0.34)
SCHEMBL7639692 0.72 USP2 (0.37) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL20286471 0.71 HPGD (0.41) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL23501579 0.70 KMT2A (0.41) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL18269631 0.70 USP2 (0.40) SMN1; SMN2USP2HPGDTP53ALOX12
SCHEMBL22162776 0.70 FPR2 (0.43) SMN1; SMN2HPGDNPC1RAB9AKMT2A

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
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 (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-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 SMN1; SMN2 3284/4885USP2 4685/4885HPGD 1505/4885

“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.