SCHEMBL7786906

SCHEMBL7786906

CCCCOc1cc(OCCCC)c2cc(C(=NO)c3ccc(C#N)cc3)c(=O)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.41
RAB9A P51151 4/20 0.40
GAA P10253 2/20 0.40
MAOA P21397 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALPL P05186 2/20 0.38
ALPI P09923 2/20 0.38
MAP1LC3B Q9GZQ8 1/20 0.37
MAP1LC3A Q9H492 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7789366 0.87 MAOB (0.48) MAOBRAB9AMAOAMAPTALDH1A1
SCHEMBL194110 0.82 ALDH1A1 (0.44) MAOBRAB9AMAPTALDH1A1HSD17B10
SCHEMBL7786276 0.81 ALPL (0.42) MAOBMAOAHSD17B10ALPLALPI
SCHEMBL6836185 0.77 MAOB (0.49) MAOBRAB9AMAOAMAPTALDH1A1
SCHEMBL16267220 0.76 MAOA (0.48) MAOBRAB9AMAOAMAPTALDH1A1
SCHEMBL16267105 0.75 MAOA (0.47) MAOBRAB9AGAAMAOAMAPT
SCHEMBL52048 0.75 ALDH1A1 (0.58) MAOBRAB9AGAAMAOAALDH1A1
SCHEMBL11217204 0.72 MAOB (0.55) MAOBRAB9AMAOAMAPTALDH1A1
SCHEMBL29253118 0.72 ALDH1A1 (0.62) MAOBRAB9AGAAMAOAALDH1A1
SCHEMBL28728781 0.72 MAOB (0.39) MAOBRAB9AMAOAMAPTALDH1A1

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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids CIBA SPEICIALTY CHEMICALS CORP. 2001-11-01 US disclosed
US-6017675-A POLYMERIZATION CATALYST CIBA SPECIALTY CHEMIALS CORPORATION (US) 2000-01-25 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-20010037037-A1 Oximesulfonic acid esters and the use thereof as latent sulfonic acids QSOX1, HAO2, PAH MAOB 337/4885RAB9A 4084/4885GAA 1846/4885

“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.