SCHEMBL7067944

SCHEMBL7067944

CCC(c1ccc(OC)c(O)c1)C(CC)(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
TUBB1 Q9H4B7 3/20 0.46
GAA P10253 2/20 0.44
TSHR P16473 2/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL9054626 0.74 KDM4E (0.43) GAATSHRNPSR1ACHEALDH1A1
SCHEMBL8409076 0.74 TSHR (0.55) GAATSHRBLMNPSR1CYP2C9
SCHEMBL9052739 0.73 BCHE (0.45) TSHRHSD17B10ACHEBCHETYR
SCHEMBL5916381 0.73 LMNA (0.44) TSHRCYP2C9HSD17B10ALDH1A1
SCHEMBL606178 0.72 ACHE (0.50) NPSR1CYP2C9HSD17B10ACHEALDH1A1
SCHEMBL7260554 0.72 CYP2C9 (0.39) TSHRCYP2C9HSD17B10CYP19A1CYP3A4
SCHEMBL15189280 0.71 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2740733 0.71 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5042589 0.70 GAA (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3096724 0.70 ALDH1A1 (0.46) GAANPSR1CYP2C9HSD17B10ALDH1A1

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA TUBB4A 1631/4885TUBB 1482/4885TUBA3C 2934/4885

“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.