SCHEMBL14879667

SCHEMBL14879667

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
PTPN1 P18031 3/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
NR1H4 Q96RI1 4/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
PLA2G2A P14555 1/20 0.39
PTPN2 P17706 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
TRPA1 O75762 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL12793975 1.00 IDO1 (0.48) IDO1PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL14412297 0.80 IDO1 (0.42) IDO1PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL12166986 0.77 IDO1 (0.36) IDO1PTPN1ALDH1A1CYP3A4NR1H4
SCHEMBL29501291 0.74 PTPN1 (0.68) IDO1PTPN1ALDH1A1CYP3A4CYP2C9
Tetrahymanol SCHEMBL1401904 0.74 PTPN1 (0.57) PTPN1HIF1A
Tetrahymanol SCHEMBL5831685 0.74 PTPN1 (0.57) PTPN1HIF1A
SCHEMBL9975951 0.74 UGT2B7 (0.41) IDO1PTPN1
SCHEMBL16984794 0.73 NR1H4 (0.54) IDO1PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL23409668 0.72 CETP (0.44) IDO1PTPN1ALDH1A1CYP3A4CYP2C9
SCHEMBL332539 0.72 CETP (0.44) IDO1PTPN1ALDH1A1CYP3A4CYP2C9

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 6 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

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 IDO1 4213/4885PTPN1 1984/4885ALDH1A1 2166/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA IDO1 4164/4885PTPN1 1876/4885ALDH1A1 2291/4885

“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.