SCHEMBL5327172

SCHEMBL5327172

CC[n+]1ccccc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.32
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA2A P29274 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
SCHEMBL12624393 0.83 TSHR (0.39) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13662159 0.81 TAAR1 (0.34) NPC1RAB9ASMN1; SMN2MEN1HTT
SCHEMBL5306247 0.80 NPC1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5810465 0.79 SMN1; SMN2 (0.50) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL13658185 0.78 CYP2D6 (0.47) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5305269 0.77 SMN1; SMN2 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5810925 0.77 SMN1; SMN2 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5303543 0.77 SMN1; SMN2 (0.53) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6561295 0.76 KDM4E (0.34) KDM4ENPC1RAB9ASMN1; SMN2MEN1
Bromide SCHEMBL8035885 0.74 AOC3 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275169-A1 Combination Therapies for Enhancing Protein Degradation THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 US disclosed
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 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 (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-20140275169-A1 Combination Therapies for Enhancing Protein Degradation HSPA2, HSPBP1, HSPH1 KDM4E 943/4885NPC1 3460/4885RAB9A 4241/4885

“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.