SCHEMBL2733260

SCHEMBL2733260

COCOC(C)(C)c1ccc(C(C)(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
ADORA2A P29274 1/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
EGFR P00533 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL18808193 0.81 CCR1 (0.36) HDAC1ADORA2AKDM4E
SCHEMBL16523823 0.80 HDAC1 (0.36) HDAC1ADORA2A
SCHEMBL26803770 0.80 RAB9A (0.33) RAB9AALDH1A1NPC1LOXL2POLB
SCHEMBL210731 0.80 GBA1 (0.35) HDAC1ADORA2ARAB9AALDH1A1NPC1
SCHEMBL10272808 0.79 ADORA2A (0.38) HDAC1ADORA2ARAB9ANPC1L3MBTL1
SCHEMBL210170 0.76 HDAC1 (0.35) HDAC1ADORA2A
SCHEMBL29754040 0.73 TSHR (0.46) RAB9AALDH1A1NPC1LOXL2POLB
SCHEMBL701703 0.73 TSHR (0.46) RAB9AALDH1A1NPC1LOXL2POLB
SCHEMBL25568917 0.71 ALDH1A1 (0.36) RAB9AALDH1A1NPC1LOXL2POLB
SCHEMBL15499726 0.69 LOXL2 (0.36) RAB9AALDH1A1NPC1LOXL2POLB

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885ADORA2A 4077/4885RAB9A 3036/4885

“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.