SCHEMBL20183064

SCHEMBL20183064

CCOC(O)c1[nH]c2cc(C(F)(F)F)c(OC)cc2c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 5/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 5/20 0.34
HTR2C P28335 2/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
HSD17B10 Q99714 3/20 0.31
HTR2B P41595 1/20 0.30
TUBB4A P04350 2/20 0.30
TUBB P07437 2/20 0.30
TUBA3C P0DPH7 2/20 0.30
TUBA1B P68363 2/20 0.30
TUBA4A P68366 2/20 0.30
TUBB4B P68371 2/20 0.30
TUBB3 Q13509 2/20 0.30
TUBB2A Q13885 2/20 0.30

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
SCHEMBL1494400 0.75 KDM4E (0.57) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL1494524 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL10605443 0.69 ALOX5 (0.57) ALDH1A1KDM4EHPGDHTR2AHTR2C
SCHEMBL5803546 0.68 KDM4E (0.54) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL12255348 0.66 AKR1C2 (0.56) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL12255237 0.65 MTNR1A (0.46) ALDH1A1KDM4EHPGDGAANPSR1
SCHEMBL1494152 0.64 HTR2A (0.40) ALDH1A1KDM4EHPGDNPSR1HTR2A
SCHEMBL20756625 0.62 HTR2A (0.62) ALDH1A1HPGDHTR2AHTR2CLMNA
SCHEMBL21676217 0.61 GRIN2D (0.66) ALDH1A1KDM4EHPGDGAAHTR2A
SCHEMBL8805636 0.61 LMNA (0.44) ALDH1A1KDM4EHPGDGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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 (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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885KDM4E 3345/4885HPGD 814/4885

“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.