SCHEMBL5806322

SCHEMBL5806322

C=CCOc1ccc(OCC=C)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 2/20 0.51
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RY12 Q9H244 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2A P28223 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LIG1 P18858 1/20 0.41

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
SCHEMBL11221012 0.92 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL8171973 0.87 ALDH1A1 (0.47) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL9768377 0.86 ADRA2A (0.50) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL4780536 0.85 HPGD (0.46) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL5196483 0.85 ALDH1A1 (0.46) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL28254022 0.85 ALDH1A1 (0.43) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL28286605 0.83 TSHR (0.44) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL23226950 0.82 HTR2C (0.55) HPGDALDH1A1KDM4EMAPTADRA2A
SCHEMBL4796316 0.82 TSHR (0.47) HPGDALDH1A1KDM4EMAPTTSHR
SCHEMBL1727026 0.81 ALDH1A1 (0.53) HPGDALDH1A1KDM4EMAPTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound SHIKOKU CHEMICALS CORPORATION (JP) 2023-10-03 US disclosed
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
WO-2006107644-A1 COLORANT COMPOUNDS, INTERMEDIATES, AND COMPOSITIONS MILLIKEN & COMPANY (US) 2006-10-12 WO disclosed
US-20060223993-A1 Colorant compounds, intermediates, and compositions MILLIKEN & COMPANY 2006-10-05 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-20060223993-A1 Colorant compounds, intermediates, and compositions AAAS, TST, AADAC HPGD 370/4885ALDH1A1 1339/4885KDM4E 530/4885
US-11773207-B2 Thiol compound, method for synthesizing same, and uses for said thiol compound TST, TMT1A, CTH HPGD 718/4885ALDH1A1 412/4885KDM4E 1377/4885

“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.