SCHEMBL12813288

SCHEMBL12813288

CC(C)O/C=C1\CCCC(C)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
ALOX12 P18054 2/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 5/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTT P42858 1/20 0.38
RCE1 Q9Y256 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CA1 P00915 1/20 0.34

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
SCHEMBL12813289 1.00 RAB9A (0.42) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL8647851 0.77 RAB9A (0.45) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL16925387 0.76
SCHEMBL9682645 0.74 RAB9A (0.49) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL9682651 0.74 RAB9A (0.49) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL10347494 0.72 EGFR (0.40) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL20601970 0.72 RAB9A (0.51) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL8154780 0.72 RAB9A (0.51) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL10347495 0.72 EGFR (0.40) RAB9AALDH1A1MAPTKDM4EHPGD
SCHEMBL8154779 0.72 RAB9A (0.51) RAB9AALDH1A1MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768307-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2020-03-18 EP disclosed
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9499464-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2016-11-22 US disclosed
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS, INC. (US) 2014-09-11 US disclosed
EP-2768307-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2014-08-27 EP disclosed
WO-2013058809-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
WO-2012134971-A2 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2012-10-04 WO disclosed
WO-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C RAB9A 1250/4885ALDH1A1 2166/4885MAPT 1097/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA RAB9A 1160/4885ALDH1A1 2291/4885MAPT 1128/4885

“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.