SCHEMBL13898756

SCHEMBL13898756

CC(=O)c1cc(CO)cc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.51
TPMT P51580 1/20 0.46
CA5A P35218 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
PRKCA P17252 2/20 0.40
PRKCD Q05655 2/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL25999808 0.91 CA5A (0.48) CREBBPCA5APRKCAPRKCDPKM
SCHEMBL1551997 0.89 TPMT (0.50) CREBBPTPMTCA5AHCAR1PRKCA
SCHEMBL12253687 0.87 CA5A (0.48) CREBBPCA5APRKCAPRKCDPKM
SCHEMBL15835583 0.85 KMT2A (0.50) CREBBPTPMTCA5AAKR1C3AKR1C2
SCHEMBL1097743 0.84 TPMT (0.50) CREBBPTPMTCA5AHCAR1KMT2A
SCHEMBL9350174 0.84 TPMT (0.55) TPMTCA5AHCAR1AKR1C3AKR1C2
SCHEMBL11762568 0.84 TPMT (0.55) TPMTCA5AHCAR1AKR1C3AKR1C2
SCHEMBL27646038 0.83 ALDH1A1 (0.52) CREBBPTPMTCA5AAKR1C3AKR1C2
SCHEMBL1175637 0.81 TPMT (0.67) CREBBPTPMTHCAR1KMT2ACA12
SCHEMBL12020867 0.81 TPMT (0.43) CREBBPTPMTCA5AHCAR1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20080096942-A1 Substituted Hydroxyethylamines ELAN PHARMACEUTICALS, INC. 2008-04-24 US disclosed
US-7312360-B2 Substituted hydroxyethylamines ELAN PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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 (2 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-20080096942-A1 Substituted Hydroxyethylamines BACE1, BACE2, MME CREBBP 1933/4885TPMT 962/4885CA5A 3619/4885
US-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT CREBBP 1098/4885TPMT 779/4885CA5A 953/4885

“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.