SCHEMBL719627

SCHEMBL719627

C=C(C)C(=O)NC(CCSC(C)(C)c1ccccc1)CCSC(C)(C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KIF11 P52732 9/20 0.36
TGFBR1 P36897 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACE P12821 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33

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
SCHEMBL300158 0.82 CYP2C19 (0.42) ALDH1A1KIF11CNR1CNR2TAS1R3
SCHEMBL716724 0.80 NPC1 (0.48) KDM4EALDH1A1KIF11CNR1CNR2
SCHEMBL717755 0.77 MAPT (0.38) KDM4EALDH1A1KIF11NPC1RAB9A
SCHEMBL285278 0.77 POLB (0.40) KDM4EALDH1A1KIF11CNR1CNR2
SCHEMBL718455 0.76 KIF11 (0.36) KIF11CNR1CNR2CYP2C19HIF1A
SCHEMBL718250 0.76 POLB (0.40) KDM4EALDH1A1KIF11CNR1CNR2
SCHEMBL285289 0.71 POLB (0.41) ALDH1A1KIF11CYP2C19HIF1A
SCHEMBL718998 0.70 ALDH1A1 (0.39) KDM4EALDH1A1TGFBR1ACESMN1; SMN2
SCHEMBL295983 0.69 TDP1 (0.45) KIF11CYP2C19HIF1A
SCHEMBL716371 0.69 CYP2C19 (0.37) KIF11NPC1RAB9ACYP2C19HIF1A

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 KDM4E 1751/4885ALDH1A1 3560/4885KIF11 519/4885

“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.