SCHEMBL955109

SCHEMBL955109

C[C@@H]1CCCC(C)(C)[C@H]1C=CC(=O)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 6/20 0.36
NPC1 O15118 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
RBP4 P02753 1/20 0.34
HTT P42858 1/20 0.33
UGT2B7 P16662 2/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL955107 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1RAB9ANPC1
SCHEMBL956457 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1RAB9ANPC1
SCHEMBL956459 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1NPSR1RAB9ANPC1
SCHEMBL18472111 0.88 EPHX2 (0.37) ALDH1A1L3MBTL1RAB9ANPC1HPGD
SCHEMBL18472127 0.88 EPHX2 (0.37) ALDH1A1L3MBTL1RAB9ANPC1HPGD
SCHEMBL956614 0.85 UGT2B7 (0.36) UGT2B7
SCHEMBL18472125 0.85 EPHX2 (0.37) UGT2B7TDP1
SCHEMBL958792 0.85 UGT2B7 (0.36) UGT2B7
SCHEMBL18472109 0.85 EPHX2 (0.37) UGT2B7TDP1
SCHEMBL958793 0.85 UGT2B7 (0.36) UGT2B7

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-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP claimed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS INC. (US) 2017-02-09 US disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 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 (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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA ALDH1A1 2958/4885L3MBTL1 1042/4885NPSR1 2835/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA ALDH1A1 2958/4885L3MBTL1 1042/4885NPSR1 2835/4885

“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.