SCHEMBL4909129

SCHEMBL4909129

CCC(CC)(CC)OC(=O)c1ccc(Br)c(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.44
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL5243250 0.86 HPGD (0.49) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL4910061 0.84 LIPE (0.51) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL2394250 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL30844598 0.84 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL14914125 0.83 SMPD1 (0.59) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL20482380 0.82 KMT2A (0.57) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL4909001 0.81 EGFR (0.39) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL4911692 0.80 HSD17B2 (0.46) HPGDHDAC6ALDH1A1KDM4EMAPT
SCHEMBL14925361 0.80 MAOB (0.59) SMN1; SMN2NPC1RAB9AHPGDSMPD1
SCHEMBL4914162 0.80 MRGPRX4 (0.57) SMN1; SMN2NPC1RAB9AHPGDSMPD1

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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 SMN1; SMN2 2287/4885NPC1 799/4885RAB9A 1620/4885

“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.