SCHEMBL15445002

SCHEMBL15445002

CC(=O)CCc1ccc2cc(CO)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
LMNA P02545 1/20 0.68
TP53 P04637 1/20 0.68
CYP3A4 P08684 1/20 0.68
MAPT P10636 1/20 0.68
MAOA P21397 1/20 0.68
SLC6A2 P23975 1/20 0.68
RAB9A P51151 1/20 0.68
SLC6A3 Q01959 1/20 0.68
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 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
SCHEMBL5236795 0.85 CYP1A2 (0.68) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL21556072 0.84 CYP1A2 (0.66) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL20323255 0.84 CYP1A2 (0.66) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL19501287 0.83 ALDH1A1 (0.62) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL12889161 0.83 CYP1A2 (0.59) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL2615110 0.82 CYP1A2 (0.64) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL8214784 0.82 ALDH1A1 (0.65) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
Nabumetone SCHEMBL29570823 0.81 CYP1A2 (1.00) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
Nabumetone SCHEMBL29373228 0.81 CYP1A2 (1.00) CYP1A2KDM4ESMN1; SMN2NPC1LMNA
Nabumetone SCHEMBL3853067 0.81 CYP1A2 (1.00) CYP1A2KDM4ESMN1; SMN2NPC1LMNA

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-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND VIZURI HEALTH SCIENCES CONSUMER HEALTHCARE, INC. 2017-10-19 US disclosed
US-9730953-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compound VIZURI HEALTH SCIENCES LLC (US) 2017-08-15 US disclosed
US-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND API GENESIS, LLC (US) 2014-07-17 US disclosed
US-8637569-B2 Methods of increasing solubility of poorly soluble compounds and methods of making and using formulations of such compounds API GENESIS, LLC (US) 2014-01-28 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-20140199391-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS CYP1A2 25/4885KDM4E 2079/4885SMN1; SMN2 3917/4885
US-20170296668-A1 METHODS OF INCREASING SOLUBILITY OF POORLY SOLUBLE COMPOUNDS AND METHODS OF MAKING AND USING FORMULATIONS OF SUCH COMPOUND ABCG2, CYP2F1, LSS CYP1A2 25/4885KDM4E 2079/4885SMN1; SMN2 3917/4885

“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.