SCHEMBL3725231

SCHEMBL3725231

CCNC(=O)C(COC(=O)Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cl)c(Cl)c2)cc1)(C(=O)NCC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMO Q99835 2/20 0.39
KMT2A Q03164 1/20 0.39
CHRM1 P11229 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ACR P10323 1/20 0.37
MTTP P55157 1/20 0.36
FFAR1 O14842 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
PTGES O14684 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
SCHEMBL3726106 0.91 ALDH1A1 (0.43) LMNAMAPTSMN1; SMN2NR1H4KDM4E
SCHEMBL3729018 0.90 NR1H4 (0.48) LMNAMAPTSMN1; SMN2NR1H4KDM4E
SCHEMBL3726294 0.87 MTTP (0.48) LMNAMAPTSMN1; SMN2NR1H4MTTP
SCHEMBL13318909 0.81 MTTP (0.45) LMNAMAPTKDM4EKMT2AGAA
SCHEMBL3729081 0.80 MTTP (0.54) MTTP
SCHEMBL3734694 0.80 MTTP (0.49) NR1H4MTTP
SCHEMBL3728978 0.79 KMT2A (0.50) LMNAMAPTSMN1; SMN2NR1H4KDM4E
SCHEMBL3723621 0.79 NR1H4 (0.45) LMNAMAPTSMN1; SMN2NR1H4KDM4E
SCHEMBL3725199 0.79 MTTP (0.49) MTTP
SCHEMBL3727324 0.79 MTTP (0.46) LMNAMAPTSMN1; SMN2NR1H4MTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US claimed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US claimed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP claimed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP 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 (2 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP LMNA 2248/4885MAPT 4387/4885SMN1; SMN2 4775/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP LMNA 2365/4885MAPT 4163/4885SMN1; SMN2 4782/4885

“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.