SCHEMBL13587256

SCHEMBL13587256

CCCCCCCCCCCCC(C)NC(=N)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
SPHK1 Q9NYA1 3/20 0.45
SPHK2 Q9NRA0 1/20 0.45
OPRM1 P35372 1/20 0.43
LMNA P02545 2/20 0.40
MLYCD O95822 1/20 0.40
TP53 P04637 2/20 0.39
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
FAAH O00519 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
GMNN O75496 1/20 0.38
POLB P06746 1/20 0.38
THPO P40225 1/20 0.38
MTOR P42345 1/20 0.38

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
SCHEMBL1068405 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13725523 1.00 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
Hydrochloric Acid SCHEMBL6273268 0.98 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4840256 0.94 TAS1R3 (0.41) ADH1BADH1CADH1AADH4ADH7
Acetic Acid SCHEMBL11044644 0.91 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10310238 0.85
SCHEMBL22209352 0.83 SPHK1 (0.45) SPHK1SPHK2OPRM1LMNATP53
SCHEMBL28977889 0.83 SPHK1 (0.45) SPHK1SPHK2OPRM1LMNATP53
SCHEMBL10014841 0.83 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL4536662 0.83 SPHK1 (0.45) SPHK1SPHK2OPRM1LMNATP53

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-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-03 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-20090299060-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB ADH1B 4404/4885ADH1C 4675/4885ADH1A 4787/4885

“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.