SCHEMBL26063142

SCHEMBL26063142

C=C(C)C(=O)OC(CCCCCCCCCC)n1ccc(=O)[nH]c1=S

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 3/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
MMP2 P08253 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
SCHEMBL26063139 0.99 ALDH1A1 (0.34) CYP2C19ALDH1A1TSHRMMP1MMP9
SCHEMBL26063145 0.89 MMP2 (0.34) CYP2C19ALDH1A1TSHRMMP2
SCHEMBL26063163 0.80 CYP2C19 (0.38) CYP2C19ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL26063149 0.78 ASAH1 (0.42) CYP2C19ALDH1A1CYP1A2GAAMEN1
SCHEMBL26550500 0.76 GPR84 (0.40) CYP2C19ALDH1A1SMN1; SMN2KMT2AGPR84
SCHEMBL26063155 0.76 ALDH1A1 (0.32) ALDH1A1TSHRLMNAGAAMEN1
SCHEMBL26063147 0.76 MMP9 (0.36) CYP2C19ALDH1A1MMP1MMP9GAA
SCHEMBL16694192 0.74 TSHR (0.42) CYP2C19ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL28294395 0.72 TSHR (0.38) CYP2C19ALDH1A1TSHRCYP1A2GAA
SCHEMBL26063228 0.72 LPO (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230273456-A1 OPTICALLY ACTIVE DEVICES JOHNSON & JOHNSON SURGICAL VISION INC (US) 2023-08-31 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-20230273456-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6D, PDE6A CYP2C19 1793/4885ALDH1A1 277/4885TSHR 4585/4885

“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.