SCHEMBL14915930

SCHEMBL14915930

C=CCCCC(c1ccccc1)C(NC(=O)C(=O)OCC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 4/20 0.40
LMNA P02545 2/20 0.40
MDM4 O15151 1/20 0.40
MDM2 Q00987 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 1/20 0.36
MMP8 P22894 1/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL433417 0.78 SMN1; SMN2 (0.48) SMN1; SMN2MAPTLMNAMDM4MDM2
SCHEMBL29623844 0.73 CYP2C19 (0.46) SMN1; SMN2MAPTLMNAMDM4MDM2
SCHEMBL14917146 0.72 TGM2 (0.41) SMN1; SMN2MAPTLMNAALDH1A1CYP3A4
SCHEMBL433286 0.72 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1GAA
SCHEMBL11664515 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAMDM4MDM2
SCHEMBL11672524 0.71 SMN1; SMN2 (0.58) SMN1; SMN2MAPTLMNAMDM4MDM2
SCHEMBL17845998 0.69 CYP2C19 (0.42) SMN1; SMN2LMNAALDH1A1CYP2C19
SCHEMBL434126 0.67 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1
SCHEMBL21798477 0.66 TDP1 (0.46) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL732002 0.66 ATM (0.50) SMN1; SMN2MAPTLMNAALDH1A1CYP2C19

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-8759523-B2 Process for preparing pyrano—[2,3-C]pyridine derivatives GLAXO GROUP LIMITED (GB) 2014-06-24 US disclosed
US-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES GLAXO GROUP LIMITED (GB) 2013-05-09 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-20130116436-A1 PROCESS FOR PREPARING PYRANO - [2,3-C]PYRIDINE DERIVITAVES DHPS, AKR1C3, Q6ZSR9 SMN1; SMN2 4213/4885MAPT 4395/4885LMNA 2537/4885

“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.