SCHEMBL3977581

SCHEMBL3977581

c1cc2c(c(-c3cc4ccccc4cn3)c1)CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RAB9A P51151 2/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
PTK2 Q05397 1/20 0.38
BTK Q06187 1/20 0.37
POLB P06746 1/20 0.36
CYP2A6 P11509 1/20 0.36
PDPK1 O15530 1/20 0.36
MEN1 O00255 1/20 0.36
KCNK2 O95069 1/20 0.36
KCNK10 P57789 1/20 0.36

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
SCHEMBL30392079 0.79 EGFR (0.36) NPC1TDP1BCL2L1BADPTK2
SCHEMBL24118185 0.77 BCL2L1 (0.36) NPC1KDM4ERAB9ABCL2L1BAD
SCHEMBL28271036 0.76 NPC1 (0.74) NPC1TDP1KDM4ECYP1A2L3MBTL1
SCHEMBL23598751 0.75 NPC1 (0.44) NPC1TDP1KDM4ECYP1A2L3MBTL1
SCHEMBL3367025 0.74 NPY5R (0.48) NPC1TDP1KDM4ECYP1A2L3MBTL1
SCHEMBL23598612 0.74 NPC1 (0.43) NPC1TDP1KDM4ECYP1A2L3MBTL1
SCHEMBL3967701 0.74 AR (0.43) NPC1KDM4ECYP1A2RAB9ABCL2L1
SCHEMBL5231256 0.73 CCR1 (0.47) NPC1RAB9ABCL2L1BADCYP2A6
SCHEMBL18891552 0.72 TDP1 (0.53) NPC1TDP1KDM4ECYP1A2L3MBTL1
SCHEMBL4974372 0.72 BCL2L1 (0.60) TDP1KDM4EL3MBTL1BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-02-12 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-20090043064-A1 METAL COMPLEX, POLYMER COMPOUND, AND DEVICE CONTAINING IT TIMCC, AP1M1, TXN NPC1 4118/4885TDP1 3278/4885KDM4E 3949/4885

“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.