SCHEMBL720076

SCHEMBL720076

C=C(C)C(=O)NCCSC(CCC)(CCC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2C19 P33261 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX12 P18054 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
SCHEMBL299746 0.90 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL718075 0.82 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL719664 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL716724 0.81 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL285750 0.77 SCN1A (0.41) RAB9ASMN1; SMN2KDM4EALDH1A1CYP2C19
SCHEMBL285278 0.74 POLB (0.40) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL718250 0.73 POLB (0.40) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL717801 0.71 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
Phenol SCHEMBL3790029 0.70 KDM4E (0.49) NPC1RAB9ASMN1; SMN2HPGDKDM4E
SCHEMBL717491 0.70 MTNR1A (0.38) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B

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 NPC1 4414/4885RAB9A 3204/4885SMN1; SMN2 4542/4885

“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.