SCHEMBL6514918

SCHEMBL6514918

C=C(CC(=O)OCCOC)C(=O)OCC(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
TSHR P16473 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
PTPN1 P18031 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CMKLR1 Q99788 2/20 0.40

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
SCHEMBL6523485 0.89 NPC1 (0.49) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL6525895 0.89 NPC1 (0.51) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL6517349 0.83 NPC1 (0.48) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL6518026 0.81 NPC1 (0.46) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL6514707 0.81 KMT2A (0.43) NPC1TSHRMEN1KMT2AALDH1A1
SCHEMBL6523946 0.77 NPC1 (0.52) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL6520550 0.77 NPC1 (0.42) NPC1KDM4EMEN1KMT2APTPN1
SCHEMBL6519191 0.76 SMN1; SMN2 (0.42) NPC1MEN1KMT2AALDH1A1MAPT
SCHEMBL6518687 0.75 TSHR (0.40) NPC1TSHRKDM4EMEN1KMT2A
SCHEMBL8396440 0.74 PTPN1 (0.61) NPC1TSHRKDM4EMEN1KMT2A

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 NPC1 3563/4885TSHR 3581/4885KDM4E 329/4885

“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.