SCHEMBL16010773

SCHEMBL16010773

CC1=CC(=O)[C@H]2C(C)(C)CCC[C@@]12C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.48
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX5 P09917 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
SULT1E1 P49888 1/20 0.32
TSHR P16473 2/20 0.32
CYP19A1 P11511 6/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL14881442 1.00 EP300 (0.48) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL11447483 1.00 EP300 (0.48) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL18871661 0.78 EP300 (0.33) EP300CYP3A4USP2MAPT
SCHEMBL16010788 0.77 EP300 (0.45) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL16010777 0.77 EP300 (0.45) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL14881395 0.77 EP300 (0.45) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL16010973 0.77 EP300 (0.45) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL14880057 0.77 EP300 (0.45) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL14882079 0.77 EP300 (0.54) EP300ALDH1A1CYP3A4USP2MAPT
SCHEMBL16010952 0.77 EP300 (0.54) EP300ALDH1A1CYP3A4USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 US claimed
US-9499464-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2016-11-22 US claimed
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-20170137398-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2017-05-18 US 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-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

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 EP300 4044/4885ALDH1A1 2166/4885CYP3A4 4427/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA EP300 4137/4885ALDH1A1 2291/4885CYP3A4 4349/4885

“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.