SCHEMBL15043869

SCHEMBL15043869

CCc1cc(COc2cc(C(=O)O)cc(C(=O)O)c2)cc(OCc2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
TUBB1 Q9H4B7 4/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TNFRSF1A P19438 1/20 0.45
RXRA P19793 1/20 0.45

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
SCHEMBL15042560 0.92 TUBB1 (0.45) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL8044554 0.78 MEN1 (0.70) MEN1KMT2ARXRARXRBPOLB
SCHEMBL28767935 0.75 MEN1 (0.70) MEN1KMT2ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL27999944 0.74 RXRA (0.47) PTGS2MEN1KMT2ARXRARXRB
SCHEMBL10395972 0.73 MAPT (0.64) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10397464 0.73 LMNA (0.60) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25236496 0.73 SMN1; SMN2 (0.53) MEN1KMT2ARXRARXRBPOLB
SCHEMBL31359135 0.73 SMN1; SMN2 (0.53) MEN1KMT2ARXRARXRBPOLB
3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 0.72 TPMT (0.78) PTGS2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL30374 0.72 PTGS2 (1.00) PTGS2TUBB1TUBB4ATUBBTUBA3C

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-9067878-B2 Organogel compositions comprising alkylated aromatic acids XEROX CORPORATION (US) 2015-06-30 US disclosed
US-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-06-20 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-20130158135-A1 Organogel Compositions Comprising Alkylated Aromatic Acids F12, AHR, RXRG PTGS2 3534/4885TUBB1 3246/4885TUBB4A 2250/4885

“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.