SCHEMBL718250

SCHEMBL718250

C=C(C)C(=O)NCCCCSC(C)(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MMP8 P22894 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KIF11 P52732 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
HPGD P15428 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL285278 0.96 POLB (0.40) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL716724 0.91 NPC1 (0.48) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL719426 0.82 TGM2 (0.48) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL719664 0.80 NPC1 (0.48) POLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL717755 0.77 MAPT (0.38) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL285489 0.77 TGM2 (0.46) POLBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL719627 0.76 KDM4E (0.37) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL285400 0.76 TDP1 (0.47) POLBKIF11
SCHEMBL285578 0.75 TDP1 (0.49) POLBLMNAALDH1A1
SCHEMBL295983 0.75 TDP1 (0.45) POLBCYP2C19HIF1AKIF11

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 POLB 1398/4885NPC1 4414/4885RAB9A 3204/4885

“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.