SCHEMBL26035296

SCHEMBL26035296

C=CC(=O)OCCCCCCn1cc(C)c(=S)[nH]c1=S

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.39
TK2 O00142 8/20 0.34
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TK1 P04183 1/20 0.32
THRB P10828 1/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 3/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL24205081 0.91 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDTK2
SCHEMBL26035287 0.89 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTK2
SCHEMBL24205063 0.86 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDCYP2C9
SCHEMBL24205256 0.83 TSHR (0.43) TSHRALDH1A1TK2CYP2C9KMT2A
SCHEMBL24205267 0.81 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTK2
SCHEMBL26035357 0.81 ALDH1A1 (0.40) TSHRALDH1A1CYP3A4HPGDTK2
SCHEMBL26035285 0.81 TK2 (0.53) TSHRALDH1A1CYP3A4TK2CYP2C9
SCHEMBL26034606 0.81 TK2 (0.53) TSHRALDH1A1CYP3A4TK2CYP2C9
SCHEMBL26035304 0.80 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDCYP2C9
SCHEMBL24205055 0.78 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53

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-20230273455-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-20230273455-A1 OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D TSHR 4592/4885ALDH1A1 311/4885CYP3A4 2513/4885

“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.