SCHEMBL3682913

SCHEMBL3682913

CC(C)(C)c1cc(Br)c2c(c1)C(=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 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
SCHEMBL15286893 0.82 PARP1 (0.35) KDM4ERECQL
SCHEMBL30721028 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL8903242 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10HPGDMEN1
SCHEMBL8365489 0.72 MAOA (0.33) ALDH1A1KDM4EHPGD
SCHEMBL6900212 0.72 HIF1A (0.39) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15287047 0.72 MEN1 (0.41) KDM4EL3MBTL1TSHRMEN1HTT
SCHEMBL30006731 0.72 MAOA (0.33) ALDH1A1KDM4EHPGD
SCHEMBL1321791 0.71 CYP1A2 (0.32) CYP1A2CYP2D6CYP2C9CYP2C19TSHR
SCHEMBL1321895 0.71 ACHE (0.39) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL30038535 0.71 ACHE (0.39) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B

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-8569532-B2 Catalysts BOREALIS TECHNOLOGY OY (FI) 2013-10-29 US disclosed
US-20120252993-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2012-10-04 US disclosed
US-20100305286-A1 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2010-12-02 US disclosed
EP-2215129-A2 CATALYSTS Borealis Technology OY (FI) 2010-08-11 EP disclosed
WO-2009027075-A2 CATALYSTS BOREALIS TECHNOLOGY OY (FI) 2009-03-05 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 (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-20120252993-A1 CATALYSTS CYP4F11, COXFA4, CYP2F1 ALDH1A1 416/4885KDM4E 4078/4885NPC1 2251/4885
US-20100305286-A1 CATALYSTS H1-2, CCNL2, H1-3 ALDH1A1 2531/4885KDM4E 2823/4885NPC1 1530/4885

“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.