SCHEMBL17286609

SCHEMBL17286609

CC(C)CCCOc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.56
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 6/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
HTT P42858 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL385043 0.91 HTR7 (0.58) HTR7SMN1; SMN2MEN1KMT2AGAA
SCHEMBL27490530 0.89 HTR7 (0.49) HTR7SMN1; SMN2MEN1KMT2AGAA
SCHEMBL19806810 0.86 HTT (0.51) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL2344935 0.82 HTR7 (0.64) HTR7SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL701534 0.82 HTR7 (0.64) HTR7SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7805121 0.81 HTR7 (0.51) HTR7SMN1; SMN2MEN1KMT2AGAA
SCHEMBL30883281 0.80 HTR7 (0.62) HTR7SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10798879 0.80 HTR7 (0.67) HTR7SMN1; SMN2MEN1KMT2AGAA
SCHEMBL21391872 0.79 CYP1A2 (0.56) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL13251250 0.79 TDP1 (0.59) SMN1; SMN2MAPTRAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 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-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HTR7 2043/4885SMN1; SMN2 2273/4885MEN1 2627/4885

“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.