SCHEMBL6443597

SCHEMBL6443597

CC(C)N(CCOc1ccccc1)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.75
CHRNB2 P17787 1/20 0.65
CHRNA4 P43681 1/20 0.65
ESR1 P03372 3/20 0.57
ESR2 Q92731 3/20 0.57
MCHR1 Q99705 3/20 0.55
ACHE P22303 1/20 0.54
KCNH2 Q12809 1/20 0.53
KCNA3 P22001 1/20 0.52
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL14174986 0.82 LTA4H (0.63) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL12744959 0.82 LTA4H (0.58) LTA4HCHRNB2CHRNA4KCNH2KCNA3
SCHEMBL5108600 0.81 LTA4H (0.57) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL6802602 0.81 LTA4H (0.61) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL5113291 0.81 LTA4H (0.61) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL7608283 0.80 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL12409068 0.80 CHRNB2 (0.56) LTA4HCHRNB2CHRNA4ESR1ESR2
SCHEMBL9520979 0.79 LTA4H (0.51) LTA4HCHRNB2CHRNA4KCNH2KCNA3
SCHEMBL27010001 0.79 LTA4H (0.51) LTA4HCHRNB2CHRNA4KCNA3LMNA
SCHEMBL6902137 0.79 TSHR (0.55) LTA4HCHRNB2CHRNA4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594857-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI-CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-16 EP claimed
WO-2004069133-A2 N-MONOACYLATED O-PHENYLENEDIAMINES AS ANTI -CANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
US-11696953-B2 Poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-11 US disclosed
US-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-11041069-B2 Gene delivery carrier MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-06-22 US disclosed
US-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-06-04 US disclosed
US-20190194444-A1 GENE DELIVERY CARRIER POLITECNICO DI MILANO (IT) 2019-06-27 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 (5 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-20190194444-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 LTA4H 1361/4885CHRNB2 4025/4885CHRNA4 4038/4885
US-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS PHOSPHO1, PEBP1, PBDC1 LTA4H 784/4885CHRNB2 4354/4885CHRNA4 3519/4885
US-11041069-B2 Gene delivery carrier PAICS, PBDC1, BCAT1 LTA4H 1361/4885CHRNB2 4025/4885CHRNA4 4038/4885
US-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 LTA4H 1361/4885CHRNB2 4025/4885CHRNA4 4038/4885
US-11696953-B2 Poly(beta-amino esters) and uses thereof BCAT1, BCAT2, SNRPE LTA4H 1407/4885CHRNB2 1304/4885CHRNA4 1263/4885

“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.