SCHEMBL13251237

SCHEMBL13251237

CC(C)CCCOc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
RARB P10826 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL8123775 0.92 RARB (0.54) TDP1DRD2DRD4DRD3RARB
SCHEMBL8118059 0.92 RARB (0.54) TDP1DRD2DRD4DRD3RARB
SCHEMBL19862541 0.90 TDP1 (0.66) TDP1DRD2DRD4DRD3CYP1A2
SCHEMBL24482993 0.82 NQO1 (0.58) TDP1RARBALDH1A1HPGDMAPK1
SCHEMBL13251236 0.82 TDP1 (0.55) TDP1DRD2DRD4DRD3RARB
SCHEMBL13251251 0.82 MEN1 (0.57) TDP1DRD2DRD4DRD3RARB
SCHEMBL10338308 0.80 MEN1 (0.60) TDP1DRD2DRD4DRD3CYP1A2
SCHEMBL8984370 0.80 LTA4H (0.58) TDP1DRD2DRD4DRD3RARB
SCHEMBL17286565 0.80 TDP1 (0.53) TDP1DRD2DRD4DRD3RARB
SCHEMBL293649 0.80 TDP1 (0.81) TDP1RARBL3MBTL1ALDH1A1MAPK1

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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 US disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 US disclosed
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2016-07-07 US disclosed
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 US disclosed
WO-2010085797-A2 ARGINASE INHIBITORS AND METHODS OF USE THE TRUSTEES OF UNIVERSITY OF PENNSYLVANIA (US) 2010-07-29 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 (5 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 TDP1 534/4885DRD2 3796/4885DRD4 4534/4885
US-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 TDP1 2823/4885DRD2 4715/4885DRD4 4717/4885
US-20160194340-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 TDP1 2823/4885DRD2 4715/4885DRD4 4717/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 TDP1 2823/4885DRD2 4715/4885DRD4 4717/4885
US-20100189644-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, NOS2 TDP1 2823/4885DRD2 4715/4885DRD4 4717/4885

“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.