SCHEMBL12435938

SCHEMBL12435938

CCC(=O)Nc1cc(C(O)Cc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.42
MAPT P10636 1/20 0.42
AHR P35869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 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
SCHEMBL2213726 0.89 SMN1; SMN2 (0.48) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435911 0.79 KDM4E (0.45) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435963 0.76 MAPT (0.58) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435909 0.76 ATM (0.52) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435910 0.75 KMT2A (0.44) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435912 0.75 HTT (0.44) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435966 0.75 MAPT (0.50) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12435995 0.74 HTT (0.42) HTTMAPK1MAPTAHRSMN1; SMN2
SCHEMBL12436008 0.74 SMN1; SMN2 (0.56) HTTMAPK1SMN1; SMN2LMNAMEN1
SCHEMBL12435989 0.73 SMN1; SMN2 (0.58) HTTMAPK1MAPTSMN1; SMN2LMNA

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 HTT 1248/4885MAPK1 4279/4885MAPT 3474/4885

“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.