SCHEMBL451234

SCHEMBL451234

CC(C)(C)OC(=O)N(CCC#N)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5175470 0.87 CA12 (0.51) CA12CA1CA2CA4LMNA
SCHEMBL452860 0.83 MTNR1A (0.44) MTNR1AMTNR1BFFAR1PPARGPPARA
SCHEMBL2205966 0.81 POLB (0.56) LMNAHPGDCCR6SMN1; SMN2TDP1
SCHEMBL452896 0.81 MTNR1A (0.41) MTNR1AMTNR1BFFAR1PPARGPPARA
SCHEMBL451593 0.79 PLA2G2A (0.39) LMNAHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21504001 0.76 CTSS (0.50) L3MBTL1ALDH1A1GAACYP1A2CYP3A4
SCHEMBL27322175 0.75 CTSS (0.41) LMNAHPGDCCR6SMN1; SMN2TDP1
SCHEMBL13783897 0.73 CYP1A2 (0.54) CA12CA1CA2CA4CYP1A2
SCHEMBL30941017 0.73 MC3R (0.50) CYP1A2BCHENR1H2HDAC3HDAC1
SCHEMBL3312799 0.73 MC3R (0.50) CYP1A2BCHENR1H2HDAC3HDAC1

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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-8039674-B2 Amino-substituted cyclic compound for EDG-1(endothelial differentiation gene) and/or EDG-6-mediated diseases; transplant rejection, autoimmune diseases, allergies, asthma, multiple organ failure, ischemia, reperfusion injury, lung or liver fibrosis; antitumor agents ONO PHARMACEUTICAL CO., LTD. (JP) 2011-10-18 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-20120064060-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF S1PR1, S1PR3, EDNRA CA12 4395/4885CA1 3216/4885CA2 3328/4885

“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.