SCHEMBL957354

SCHEMBL957354

CC1(C)CCCC(C)(C)C1/C=C/C(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RBP4 P02753 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 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
SCHEMBL957356 1.00 RAB9A (0.40) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL18472141 0.86 EPHX2 (0.41) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL956449 0.83 UGT2B7 (0.34) MEN1KMT2A
SCHEMBL18472139 0.83 EPHX2 (0.38) SMN1; SMN2TDP1
SCHEMBL956451 0.83 UGT2B7 (0.34) MEN1KMT2A
SCHEMBL21089355 0.82 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL957349 0.82 MAPT (0.31)
SCHEMBL957348 0.82 MAPT (0.31)
SCHEMBL956459 0.79 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL955109 0.79 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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
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
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-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
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 WO 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 RAB9A 948/4885NPC1 820/4885ALDH1A1 2958/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA RAB9A 948/4885NPC1 820/4885ALDH1A1 2958/4885

“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.