SCHEMBL3030210

SCHEMBL3030210

CCOC(=O)c1[nH]c2ccccc2c1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.62
HTR6 P50406 2/20 0.61
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
HTR1D P28221 1/20 0.61
HTR1B P28222 1/20 0.61
HTR1F P30939 1/20 0.61
HTR7 P34969 1/20 0.61
DRD3 P35462 1/20 0.61
MAPT P10636 3/20 0.60
TUBB4A P04350 3/20 0.59
TUBB P07437 3/20 0.59
TUBA3C P0DPH7 3/20 0.59
TUBA1B P68363 3/20 0.59
TUBA4A P68366 3/20 0.59
TUBB4B P68371 3/20 0.59
TUBB3 Q13509 3/20 0.59
TUBB2A Q13885 3/20 0.59
TUBB8 Q3ZCM7 3/20 0.59

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
SCHEMBL8472591 0.85 MEN1 (0.62) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL19661278 0.85 MEN1 (0.66) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL7383622 0.84 TUBB4A (0.56) KDM4EMAPTTUBB4ATUBBTUBA3C
SCHEMBL8475171 0.83 KDM4E (0.56) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL2880010 0.82 KDM4E (0.66) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL5261636 0.82 HTR6 (0.57) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL8471965 0.81 KDM4E (0.54) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL8472332 0.81 KDM4E (0.54) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL3276393 0.81 TUBB4A (0.67) KDM4EHTR6HTR1ADRD2DRD4
SCHEMBL7534562 0.81 ALDH1A1 (0.71) KDM4EHTR6HTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988377-B2 Small molecule inducers of GDNF as potential new therapeutics for neuropsychiatric disorders THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-06-05 US disclosed
WO-2013028999-A1 SMALL MOLECULE INDUCERS OF GDNF AS POTENTIAL NEW THERAPEUTICS FOR NEUROPSYCHIATRIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-02-28 WO disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 WO disclosed
US-6323228-B1 INHIBITING ANGIOGENESIS IN A MAMMAL IN RECOGNIZED NEED OF SUCH TREATMENT COMPRISING ADMINISTERING TO THE MAMMAL WITH INDOLE SUBSTITUTED WITH HYDRAZIDES ABBOTT LABORATORIES 2001-11-27 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 KDM4E 1608/4885HTR6 325/4885HTR1A 230/4885
US-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 KDM4E 1070/4885HTR6 3664/4885HTR1A 4178/4885

“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.