SCHEMBL20440792

SCHEMBL20440792

COc1cc(CC(=O)C2=C(C)CCCC2(C)C)ccc1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSP90AA1 P07900 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LPAR1 Q92633 3/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL20440802 0.91 GAA (0.40) GAALMNASMN1; SMN2NPSR1MAPK1
SCHEMBL20440811 0.78 HIF1A (0.38) GAATRPV1MAPTHIF1AACE2
SCHEMBL20440808 0.76 CYP2C19 (0.34) LMNASMN1; SMN2MAPK1HSP90AA1TRPV1
SCHEMBL20440809 0.76 ACE2 (0.35) SMN1; SMN2HSP90AA1ALDH1A1TRPV1MEN1
SCHEMBL13895733 0.74 GAA (0.64) GAALMNASMN1; SMN2NPSR1MAPK1
SCHEMBL20440798 0.73 AKR1B1 (0.42) LMNAMEN1MAPTKMT2AKDM4E
SCHEMBL9548108 0.71 GAA (0.47) GAALMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL13895735 0.70 ABL1 (0.47) GAALMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL3219080 0.70 ABL1 (0.47) GAALMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL14227676 0.69 SLC6A4 (0.40) MAPK1ALDH1A1TSHRMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — US claimed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — US disclosed
US-10040749-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. (US) 2018-08-07 — — 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 (1 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-10040749-B2 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, PDE6C GAA 2480/4885LMNA 2942/4885SMN1; SMN2 2629/4885

“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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