SCHEMBL718737

SCHEMBL718737

C=CC(=O)OC(CCSC(C)(C)c1ccccc1)(CCSC(C)(C)c1ccccc1)CCSC(C)(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
HTT P42858 1/20 0.36
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 5/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL716371 0.81 CYP2C19 (0.37) CYP2C19HIF1AMAPTKMT2AKIF11
SCHEMBL285727 0.81 THRB (0.50) CYP2C19HIF1AHTTTHRBALDH1A1
SCHEMBL285398 0.78 THRB (0.48) CYP2C19HIF1ATHRBALDH1A1TSHR
SCHEMBL718425 0.77 KIF11 (0.36) CYP2C19HIF1AHTTTHRBMAPT
SCHEMBL285406 0.77 THRB (0.47) HIF1ATHRBALDH1A1TSHRKIF11
SCHEMBL285640 0.76 TSHR (0.49) HIF1ATHRBALDH1A1TSHRCYP3A4
SCHEMBL720802 0.76 ALDH1A1 (0.49) CYP2C19HIF1AHTTMAPTKMT2A
SCHEMBL3169549 0.74 CYP2C19 (0.46) CYP2C19HIF1AHTTTHRBMAPT
SCHEMBL7859075 0.74 HTT (0.46) CYP2C19HIF1AHTTTHRBMAPT
SCHEMBL4596471 0.73 ALDH1A1 (0.48) CYP2C19HIF1AHTTTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ CYP2C19 1029/4885HIF1A 857/4885HTT 514/4885

“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.