SCHEMBL16010791

SCHEMBL16010791

CO[C@H]1CC[C@H]2C(C)(C)CCC[C@@]12C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 2/20 0.39
CETP P11597 1/20 0.38
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
IDO1 P14902 1/20 0.36
CYP19A1 P11511 2/20 0.35
PTPN2 P17706 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
TRPA1 O75762 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 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
SCHEMBL23409668 0.73 CETP (0.44) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL332539 0.73 CETP (0.44) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL14879667 0.71 IDO1 (0.48) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL29501291 0.71 PTPN1 (0.68) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL12793975 0.71 IDO1 (0.48) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL613003 0.70 IDO1 (0.33) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9051720 0.70 ALDH1A1 (0.48) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL9051717 0.70 ALDH1A1 (0.48) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL613002 0.70 IDO1 (0.33) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL18030014 0.69

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 4 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

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 PTPN1 1984/4885ALDH1A1 2166/4885CYP3A4 4427/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA PTPN1 1876/4885ALDH1A1 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.