SCHEMBL7789366

SCHEMBL7789366

CCCCOc1cc(OCCCC)c2cc(C(=O)c3ccc(C#N)cc3)c(=O)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
CNR1 P21554 1/20 0.45
CASP1 P29466 1/20 0.45
CNR2 P34972 1/20 0.45
CASP7 P55210 1/20 0.45
RAB9A P51151 4/20 0.44
MAOA P21397 1/20 0.43
KDM5A P29375 1/20 0.41
KDM7A Q6ZMT4 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
MAP1LC3A Q9H492 1/20 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
SCHEMBL194110 0.95 ALDH1A1 (0.44) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL52048 0.88 ALDH1A1 (0.58) MAOBALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL7786906 0.87 MAOB (0.41) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL6836185 0.86 MAOB (0.49) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL11217204 0.85 MAOB (0.55) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL29253118 0.84 ALDH1A1 (0.62) MAOBALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL51591 0.82 ALDH1A1 (0.56) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL51758 0.81 CYP3A4 (0.54) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL16267220 0.81 MAOA (0.48) MAOBALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL52567 0.80 ALDH1A1 (0.49) MAOBALDH1A1KDM4ESMN1; SMN2MAPT

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 337/4885ALDH1A1 160/4885KDM4E 1379/4885

“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.