SCHEMBL16010827

SCHEMBL16010827

COC(=O)C1C[C@H]2C(C)(C)CCC[C@@]2(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.44
▸ FDPS P14324 8/20 0.35
▸ GGPS1 O95749 4/20 0.33
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ALOX15 P16050 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
SCHEMBL16010828 1.00 TSHR (0.44) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL8571586 0.77 TSHR (0.37) TSHRFDPSGGPS1MAPTGAA
SCHEMBL16010875 0.68 TSHR (0.39) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL16010948 0.68 TSHR (0.39) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL16010876 0.68 TSHR (0.39) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL29328848 0.67 CYP1A2 (0.38) TSHRHTTALDH1A1KMT2A
SCHEMBL3236730 0.66 CYP1A2 (0.37) TSHRMAPTGAANPSR1HTT
SCHEMBL16010886 0.66 CHRNB2 (0.39) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL14879868 0.66 CHRNB2 (0.39) TSHRFDPSGGPS1CHRNB2CHRNB4
SCHEMBL11004912 0.65 CYP1A2 (0.39) TSHRMAPTGAANPSR1HTT

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 TSHR 656/4885FDPS 3342/4885GGPS1 2252/4885
US-20140256782-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, PDE6C, CRYAA TSHR 720/4885FDPS 3381/4885GGPS1 2364/4885

“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.

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