SCHEMBL5673170

SCHEMBL5673170

O=C(O)C1(c2ccc(N3CCOC3)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 4/20 0.50
AKR1C1 Q04828 1/20 0.50
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
PRCP P42785 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DGAT1 O75907 2/20 0.43
TSHR P16473 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GSK3B P49841 1/20 0.39
KMO O15229 1/20 0.38

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
SCHEMBL5572597 0.78 LMNA (0.55) SMN1; SMN2LMNAALDH1A1CYP3A4CYP2C19
SCHEMBL349449 0.77 AKR1C1 (0.52) SMN1; SMN2LMNAALDH1A1AKR1C1CYP3A4
SCHEMBL20439648 0.75 KDM4E (0.56) SMN1; SMN2LMNAALDH1A1AKR1C1MEN1
Hydrochloric Acid SCHEMBL7002542 0.74 AKR1C1 (0.50) SMN1; SMN2LMNAALDH1A1AKR1C1CYP3A4
SCHEMBL17737077 0.73 KMO (0.57) SMN1; SMN2ALDH1A1MEN1KMT2APKM
SCHEMBL3097606 0.72 TSHR (0.58) SMN1; SMN2ALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL20424845 0.72 KDM4E (0.59) LMNAALDH1A1AKR1C1MEN1KMT2A
SCHEMBL13271405 0.70 ALDH1A1 (0.53) SMN1; SMN2LMNAALDH1A1CYP2C19MEN1
SCHEMBL9023593 0.69 AKR1C1 (0.70) SMN1; SMN2AKR1C1CYP3A4CYP2C19MEN1
SCHEMBL14982126 0.69 GSK3B (0.53) SMN1; SMN2LMNAALDH1A1PKMTSHR

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
EP-1276748-B1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS SANKYO LIFETECH COMPANY LTD (JP) 2006-01-11 EP disclosed
US-6653342-B2 Acaricidal, insecticidal and anthelmintic activity on plants and animals; such as 13-(1-(4-aminophenyl)cyclopentane-carbonyloxy)-5-hydroxymilbemycin A4 SANKYO COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030139601-A1 13-substituted milbemycin derivatives, their preparation and their use against insects and other pests SANKYO COMPANY, LIMITED (JP) 2003-07-24 US disclosed
EP-1276748-A1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed
WO-2001083500-A1 13-SUBSTITUTED MILBEMYCIN DERIVATIVES, THEIR PREPARATION AND THEIR USE AGAINST INSECTS AND OTHER PESTS SANKYO COMPANY, LIMITED (JP) 2001-11-08 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 (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-20030139601-A1 13-substituted milbemycin derivatives, their preparation and their use against insects and other pests MRM1, CYCS, RPS27 SMN1; SMN2 2713/4885LMNA 1008/4885ALDH1A1 1043/4885

“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.