SCHEMBL2810172

SCHEMBL2810172

COCCCOc1cc(C=O)cc(F)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
ALDH1A1 P00352 10/20 0.41
MAPT P10636 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
TUBB1 Q9H4B7 2/20 0.38
REN P00797 1/20 0.38
MAPK1 P28482 2/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL12648267 0.88 FDPS (0.45) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2809278 0.84 FDPS (0.46) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2808779 0.82 ALDH1A1 (0.52) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL2806937 0.82 ALDH1A1 (0.48) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL29803132 0.81 TUBB1 (0.50) FDPSALDH1A1MAPTHPGDCYP1A2
SCHEMBL1766183 0.81 TUBB1 (0.50) FDPSALDH1A1MAPTHPGDCYP1A2
SCHEMBL16680535 0.81 FDPS (0.50) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL12525838 0.79 FDPS (0.55) FDPSALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL7959829 0.77 ALDH1A1 (0.40) FDPSALDH1A1MAPTHPGDCYP2C9
SCHEMBL2306018 0.77 TUBB1 (0.47) ALDH1A1HPGDTUBB1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 FDPS 3987/4885ALDH1A1 2202/4885MAPT 2380/4885

“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.