SCHEMBL17819981

SCHEMBL17819981

CC1(C)OB(c2cccc3c2Cc2ccc(NC(=O)O)cc2O3)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 4/20 0.34
PDGFRB P09619 2/20 0.32
KDR P35968 2/20 0.32
LIPG Q9Y5X9 1/20 0.32
CA12 O43570 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CXCR2 P25025 3/20 0.31
RAB9A P51151 3/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
CA4 P22748 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
MAOA P21397 1/20 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
SCHEMBL17827845 0.86 SIRT2 (0.38) CA1CA2CA9CA12CA4
SCHEMBL17820895 0.85 CYP1A2 (0.34) CA1CA2CA9PDGFRBKDR
SCHEMBL17819791 0.77 NPC1 (0.37) CA9CA12MEN1KMT2ARAB9A
SCHEMBL17819797 0.77 CYP1A2 (0.34) CA1CA2CA9PDGFRBKDR
SCHEMBL17820215 0.75 NPC1 (0.35) LIPGMEN1KMT2ARAB9ANPC1
SCHEMBL22412944 0.74 POLB (0.45) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL17827851 0.72 SIRT2 (0.38) CA1CA2CA9CA12CA4
SCHEMBL17820990 0.70 RAB9A (0.32) CA1CA2CA9PDGFRBKDR
SCHEMBL2635866 0.69 KMT2A (0.40) MEN1KMT2ACXCR2RAB9AMAPT
SCHEMBL3667451 0.69 EPHX1 (0.39) CA1CA2CA9PDGFRBKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CA1 2132/4885CA2 1455/4885CA9 3591/4885

“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.