SCHEMBL1628486

SCHEMBL1628486

CC1=C(C(C)O)C(C)(C)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 9/20 0.36
PTGS1 P23219 4/20 0.36
DRD3 P35462 2/20 0.36
LMNA P02545 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
HAO1 Q9UJM8 1/20 0.34
CYP3A4 P08684 4/20 0.33
APP P05067 4/20 0.33
SNCA P37840 4/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
RXRA P19793 5/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 6/20 0.31
RARA P10276 4/20 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
SCHEMBL11332332 0.81 CYP1A2 (0.36) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11323414 0.80 CYP1A2 (0.35) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11314530 0.77 CYP1A2 (0.36) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL14879979 0.77 CYP1A2 (0.39) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11356731 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11356723 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL12813207 0.76 CYP1A2 (0.35) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11447651 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL14880058 0.76 CYP1A2 (0.38) CYP1A2ALDH1A1PTGS1DRD3LMNA
SCHEMBL11448948 0.76 CYP1A2 (0.35) CYP1A2ALDH1A1PTGS1DRD3LMNA

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 13 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
US-8460635-B2 Fenretinide derivatives and uses thereof as therapeutic, diagnostic and imaging agents ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-06-11 US disclosed
US-8460635-B2 Fenretinide derivatives and uses thereof as therapeutic, diagnostic and imaging agents ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-06-11 US disclosed
US-8460635-B2 Fenretinide derivatives and uses thereof as therapeutic, diagnostic and imaging agents ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2013-06-11 US disclosed
WO-2013058809-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2013-04-25 WO disclosed
US-20110091383-A1 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-04-21 US disclosed
US-20110091383-A1 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-04-21 US disclosed
US-20110091383-A1 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-04-21 US disclosed
WO-2009114136-A2 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2009-09-17 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 (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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE CRYAB, CRYAA, PDE6C CYP1A2 4420/4885ALDH1A1 2166/4885PTGS1 1994/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA CYP1A2 4370/4885ALDH1A1 2291/4885PTGS1 1907/4885
US-20110091383-A1 FENRETINIDE DERIVATIVES AND USES THEREOF AS THERAPEUTIC, DIAGNOSTIC AND IMAGING AGENTS RBP4, HDLBP, PON1 CYP1A2 2196/4885ALDH1A1 1479/4885PTGS1 1921/4885

“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.