SCHEMBL3134780

SCHEMBL3134780

[2H]c1cc(C#CC2(O)CCCCC2)cc(C(O)CCNC(=O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
XBP1 P17861 1/20 0.34
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
NR2F2 P24468 1/20 0.32
HPGD P15428 1/20 0.32
MAP3K14 Q99558 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31

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
SCHEMBL13324017 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL236399 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL236989 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL236125 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL233163 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL2151124 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL2151346 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL2151190 0.81 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL13323565 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTSMN1; SMN2POLB
SCHEMBL15129159 0.78 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT

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
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885L3MBTL1 4107/4885MAPT 197/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885L3MBTL1 4107/4885MAPT 197/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ALDH1A1 777/4885L3MBTL1 4107/4885MAPT 197/4885

“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.