SCHEMBL18633989

SCHEMBL18633989

NCC1CC2CCCC(C1)C2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.39
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
LMNA P02545 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31

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
SCHEMBL26708892 0.89 NCF1 (0.39) NCF1EPHX2PLGPLATLMNA
SCHEMBL7461565 0.88 EPHX2 (0.37) NCF1EPHX2CYP3A4CYP2C9CYP2C19
SCHEMBL18648609 0.79 MAPT (0.42) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23926878 0.74
SCHEMBL8483 0.74
SCHEMBL14599332 0.74 EPHX2 (0.36) NCF1EPHX2PLGPLATLMNA
SCHEMBL26707517 0.74 EPHX2 (0.36) NCF1EPHX2PLGPLATLMNA
SCHEMBL12515038 0.74 MAPT (0.35) MAPT
SCHEMBL1703647 0.73 EPHX2 (0.39) NCF1EPHX2PLGPLATLMNA
SCHEMBL26661 0.73 EPHX2 (0.39) NCF1EPHX2PLGPLATLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950999-B2 Non-ionic low diffusing photo-acid generators INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-04-24 US disclosed
US-9951032-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2018-04-24 US disclosed
US-9758497-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2017-09-12 US disclosed
US-9751854-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20170073326-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-16 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-20170073326-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B NCF1 1024/4885MAPT 3994/4885EPHX2 4481/4885

“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.