SCHEMBL7071776

SCHEMBL7071776

C=CCOc1ccc(C=O)cc1Cc1c(OCC=C)ccc(C=O)c1-c1ccc(OCCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.42
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL7067338 0.85 GAA (0.39) ERN1ALDH1A1HPGDMGAMGAA
SCHEMBL7072441 0.79 ERN1 (0.46) ERN1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7073794 0.76 MAOA (0.48) ERN1ALDH1A1
SCHEMBL7069599 0.75 CYP1A2 (0.44) ERN1ALDH1A1MAPTLMNAHPGD
SCHEMBL7071774 0.71 ALDH1A1 (0.39) ERN1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL2867499 0.69 ALDH1A1 (0.47) ERN1ALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL19251015 0.68 MAOA (0.46) ALDH1A1MAPTSMN1; SMN2GAAFDPS
SCHEMBL24408012 0.67 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL8534293 0.67 KDM4E (0.48) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL1923931 0.67 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HPGDGAAFDPS

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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML ERN1 3269/4885ALDH1A1 3369/4885MAPT 2354/4885

“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.