SCHEMBL13220562

SCHEMBL13220562

C=C(O)c1cc(C(C)(C)C)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ HPGD P15428 1/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ MAPT P10636 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ CYP2D6 P10635 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PLG P00747 2/20 0.43
▸ KLK1 P06870 2/20 0.43
▸ KLK6 Q92876 2/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ LMNA P02545 2/20 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
SCHEMBL8241627 0.84 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL7606804 0.84 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL134234 0.80 HSP90AA1 (0.60) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL9636450 0.80 ALDH1A1 (0.57) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL432204 0.78 HSP90AA1 (0.58) ALDH1A1TDP1HSD17B10HPGDALOX15
Hydrochloric Acid SCHEMBL10933935 0.78 HSP90AA1 (0.58) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL7087682 0.78 HSP90AA1 (0.58) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL427276 0.78 HSP90AA1 (0.58) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL20968011 0.76 HSP90AA1 (0.60) ALDH1A1TDP1HSD17B10HPGDALOX15
SCHEMBL6581882 0.76 HSP90AA1 (0.60) ALDH1A1TDP1HSD17B10HPGDALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 — — US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 — — US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 — — 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 (3 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885TDP1 2224/4885HSD17B10 2623/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885TDP1 2224/4885HSD17B10 2623/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 ALDH1A1 3939/4885TDP1 2224/4885HSD17B10 2623/4885

“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.

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