SCHEMBL954948

SCHEMBL954948

CC1=C(C=CC(=O)N2CCN(C(=O)O)CC2)C(C)(C)CCC1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.36
RARA P10276 2/20 0.35
CYP26A1 O43174 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
AR P10275 1/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 1/20 0.34
RBP4 P02753 1/20 0.34
GPR183 P32249 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32

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
SCHEMBL954946 1.00 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL18472128 0.90 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL957471 0.88 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL957472 0.88 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL21088868 0.85 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1CYP26A1MEN1
SCHEMBL954530 0.80 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1CYP1A2RARA
SCHEMBL954532 0.80 MAPT (0.65) MAPTSMN1; SMN2ALDH1A1CYP1A2RARA
SCHEMBL958358 0.77 CYP1A2 (0.65) MAPTSMN1; SMN2ALDH1A1CYP1A2RARA
SCHEMBL958357 0.77 CYP1A2 (0.65) MAPTSMN1; SMN2ALDH1A1CYP1A2RARA
SCHEMBL8011547 0.77 MAPT (0.61) MAPTSMN1; SMN2ALDH1A1CYP1A2RARA

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-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
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 MAPT 741/4885SMN1; SMN2 2172/4885ALDH1A1 2958/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA MAPT 741/4885SMN1; SMN2 2172/4885ALDH1A1 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.