SCHEMBL17038474

SCHEMBL17038474

CCC(=O)CCC(=O)c1ccc2cc(N(C)C)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
RAB9A P51151 3/20 0.68
NPC1 O15118 2/20 0.68
HPGD P15428 4/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
THRA P10827 1/20 0.42
KDM2B Q8NHM5 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.38
PTPN1 P18031 1/20 0.37
HDAC1 Q13547 2/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
SLC16A3 O15427 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL158933 0.86 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL29382443 0.86 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL17037958 0.85 HPGD (0.67) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
Propane SCHEMBL626692 0.84 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL19833679 0.83 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL1554210 0.81 THRA (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1THRA
SCHEMBL30323029 0.81 THRA (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1THRA
SCHEMBL592846 0.81 THRA (0.56) ALDH1A1SMN1; SMN2RAB9ANPC1THRA
SCHEMBL21953325 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL17035290 0.81 HPGD (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD

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-20150239928-A1 CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2015-08-27 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-20150239928-A1 CATIONIC STEROIDAL ANTIMICROBIAL COMPOUNDS CCL11, SERPINA6, CXCL10 ALDH1A1 4581/4885SMN1; SMN2 3512/4885RAB9A 3225/4885

“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.