SCHEMBL2489320

SCHEMBL2489320

CCC(=C(CC)c1ccc(O)c(CN(C)C)c1)c1ccc(OC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 3/20 0.60
JAK2 O60674 1/20 0.57
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
G6PD P11413 1/20 0.43
PABPC1 P11940 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
SLC2A1 P11166 1/20 0.41
TSHR P16473 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
SCHEMBL2489317 1.00 NR1I2 (0.60) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL2488426 0.88 JAK2 (0.72) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL2488427 0.88 JAK2 (0.72) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL13339124 0.88 JAK2 (0.72) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL2485261 0.87 JAK2 (0.78) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL2485257 0.87 JAK2 (0.78) NR1I2JAK2ALDH1A1KMT2AMEN1
SCHEMBL5802797 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL554922 0.78 NR1I2 (1.00) NR1I2ALDH1A1KMT2AMEN1MAPT
SCHEMBL554921 0.78 NR1I2 (1.00) NR1I2ALDH1A1KMT2AMEN1MAPT
SCHEMBL6232157 0.78 NR1I2 (1.00) NR1I2ALDH1A1KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367078-B2 Kinase inhibitor compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-02-05 US claimed
US-20140248634-A1 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2014-09-04 US disclosed
WO-2013019655-A2 VIMENTIN AS A BIOMARKER FOR THE PROGRESSION OF MYELOPROLIFERATIVE NEOPLASMS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2013-02-07 WO disclosed
US-20110301159-A1 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF SOUTH FLORIDA (US) 2011-12-08 US disclosed
EP-2376425-A2 KINASE INHIBITOR COMPOUNDS University of Florida Research Foundation, Inc. (US) 2011-10-19 EP disclosed
WO-2010068710-A2 KINASE INHIBITOR COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-17 WO 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-20110301159-A1 KINASE INHIBITOR COMPOUNDS JAK2, JAK1, JAK3 NR1I2 3892/4885JAK2 1/4885ALDH1A1 3784/4885

“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.