SCHEMBL4854441

SCHEMBL4854441

CCCCC(O)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.58
▸ BCL9 O00512 1/20 0.57
▸ CTNNB1 P35222 1/20 0.57
▸ MAPT P10636 5/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ HTR2A P28223 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL27587361 0.85 MGLL (0.56) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11063253 0.82 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11060689 0.82 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL29277468 0.82 MGLL (0.57) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL11064813 0.82 MGLL (0.61) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL531154 0.82 MAPT (0.65) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL28063044 0.81 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL60448 0.81 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL7073161 0.81 MGLL (0.60) MGLLBCL9CTNNB1MAPTCRHBP
SCHEMBL28120256 0.81 MGLL (0.56) MGLLBCL9CTNNB1MAPTCRHBP

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-7408075-B1 Synthesis of phosphocholine ester derivatives and conjugates thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-05 — — US disclosed
US-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-07-24 — — 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-20080175852-A1 SYNTHESIS OF PHOSPHOCHOLINE ESTER DERIVATIVES AND CONJUGATES THEREOF PHOSPHO1, SGMS1, SGMS2 MGLL 349/4885BCL9 3353/4885CTNNB1 4732/4885

“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.

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