SCHEMBL3596394

SCHEMBL3596394

CCOC(=O)C(O)(c1c(C)n(C)c2ccccc12)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 2/20 0.47
GLA P06280 1/20 0.45
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TNF P01375 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3587313 0.87 MAPK1 (0.44) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3587646 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3604201 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL13254019 0.78 GLA (0.75) ALDH1A1MAPK1GLATSHRPOLB
SCHEMBL3585003 0.77 TP53 (0.44) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL3591542 0.75 GLA (0.57) ALDH1A1MAPTMAPK1GLATSHR
SCHEMBL3603389 0.75 GLA (0.57) ALDH1A1KDM4EMAPK1GLA
SCHEMBL29246330 0.73 TSHR (0.48) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3596804 0.72 GLA (0.54) ALDH1A1MAPTMAPK1GLATSHR
SCHEMBL3592270 0.72 GLA (0.54) ALDH1A1MAPK1GLAPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266490-B2 Radioprotector compounds GEORGETOWN UNIVERSITY (US) 2019-04-23 US disclosed
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS GEORGETOWN UNIVERSITY (US) 2015-02-12 US disclosed
WO-2013138600-A1 RADIOPROTECTOR COMPOUNDS ROSEN ELIOT M (US) 2013-09-19 WO disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-10266490-B2 Radioprotector compounds DDB1, CASP3, BAD ALDH1A1 1017/4885KDM4E 1496/4885MEN1 1580/4885
US-20150044293-A1 RADIOPROTECTOR COMPOUNDS DDB1, CASP3, BAD ALDH1A1 1017/4885KDM4E 1496/4885MEN1 1580/4885
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALDH1A1 4118/4885KDM4E 1967/4885MEN1 3628/4885

“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.