SCHEMBL11982012

SCHEMBL11982012

CNc1ccc(COC(=O)OC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3074673 0.86 APP (0.45) APPMEN1KMT2AMAPTKDM4E
SCHEMBL12513084 0.86 MEN1 (0.43) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL22001309 0.86 MEN1 (0.56) MEN1KMT2AMAPTKDM4ENPSR1
SCHEMBL10255243 0.81 APP (0.44) APPMEN1KMT2AMAPTKDM4E
SCHEMBL8773535 0.80 ALDH1A1 (0.58) KMT2AMAPTHPGDNPC1RAB9A
SCHEMBL25046753 0.79 APP (0.41) APPMEN1KMT2AMAPTKDM4E
SCHEMBL21152897 0.79 APP (0.41) APPMEN1KMT2AMAPTKDM4E
SCHEMBL464491 0.79 F13A1 (0.42) APPMEN1KMT2AMAPTKDM4E
SCHEMBL21163456 0.78 APP (0.46) APPMEN1KMT2AMAPTKDM4E
SCHEMBL12285735 0.78 ALDH1A1 (0.60) APPMEN1KMT2AMAPTKDM4E

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-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE CERULEAN PHARMA INC. (US) 2013-03-07 US disclosed
US-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY GLUCKSMANN ALEXANDRA (US) 2012-08-09 US disclosed
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE CERULEAN PHARMA INC. 2010-09-30 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-20120202772-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY PSMG3, COPB1, PSMA6 APP 722/4885MEN1 4482/4885KMT2A 3427/4885
US-20100247669-A1 POLYMER-AGENT CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS OF USE LPXN, POLI, BRCA1 APP 3155/4885MEN1 693/4885KMT2A 2209/4885
US-20130059816-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF AUTOIMMUNE AND OTHER DISEASE PHOSPHO1, SGMS1, SGMS2 APP 4153/4885MEN1 1397/4885KMT2A 3696/4885

“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.