SCHEMBL3723615

SCHEMBL3723615

CCOC(=O)C(COC(=O)Cc1ccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)cc1)(C(=O)OCC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
FFAR1 O14842 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL3733236 0.85 MAPT (0.48) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3726623 0.84 MAPT (0.45) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3735372 0.83 MAPT (0.43) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3727712 0.83 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3727274 0.82 HTT (0.44) MAPTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL3728899 0.82 SMN1; SMN2 (0.47) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3727303 0.82 MAPT (0.47) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3726975 0.82 POLB (0.56) MAPTLMNASMN1; SMN2KMT2AKDM4E
SCHEMBL3731267 0.82 MTTP (0.46) MAPTLMNASMN1; SMN2KDM4ENR1H4
SCHEMBL3729086 0.81 MAPT (0.52) MAPTLMNASMN1; SMN2KMT2AKDM4E

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 MAPT 4387/4885LMNA 2248/4885SMN1; SMN2 4775/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP MAPT 4163/4885LMNA 2365/4885SMN1; 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.