SCHEMBL6859852

SCHEMBL6859852

C=C(C(=O)O)C1=CC(C)(C)Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GLA P06280 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.33
OPRD1 P41143 4/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
HPGD P15428 1/20 0.32
RARA P10276 2/20 0.31
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
CYP2D6 P10635 2/20 0.30
KCNH2 Q12809 2/20 0.30
OPRK1 P41145 2/20 0.30

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
SCHEMBL27313326 0.70 ALDH1A1 (0.37) ALDH1A1GLAMAPTOPRD1CTDSP1
SCHEMBL6859855 0.69 KDM4E (0.42) ALDH1A1GLAMAPTLMNACTDSP1
SCHEMBL6535545 0.68 ALDH1A1 (0.41) ALDH1A1GLAMAPTLMNAOPRD1
SCHEMBL28075539 0.66 ALDH1A1 (0.35) ALDH1A1GLAMAPTOPRD1HPGD
SCHEMBL6351616 0.64 LMNA (0.30) MAPTLMNAL3MBTL1
SCHEMBL7738968 0.64 ALDH1A1 (0.35) ALDH1A1GLAMAPTOPRD1CTDSP1
SCHEMBL17414489 0.64 ATM (0.34) ALDH1A1GLAMAPTOPRD1HPGD
SCHEMBL11112727 0.63 KIF11 (0.39) ALDH1A1GLAMAPTOPRD1CTDSP1
SCHEMBL8795164 0.62 ALDH1A1 (0.33) ALDH1A1MAPTOPRD1HPGDKCNH2
SCHEMBL10652225 0.62 ALDH1A1 (0.32) ALDH1A1GLAMAPTOPRD1CTDSP1

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-20040126437-A1 Typing natural products RIBEIRO MARIA CRISTINA MARCUCC (BR) 2004-07-01 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-20040126437-A1 Typing natural products ACHE, BCHE, HLA-C ALDH1A1 735/4885GLA 313/4885MAPT 3169/4885

“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.