SCHEMBL7353068

SCHEMBL7353068

CCCCCCCOC[C@@H]1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ SMN1; SMN2 Q16637 1/20 0.84
▸ TSHR P16473 2/20 0.75
▸ MAPK1 P28482 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ SPHK2 Q9NRA0 1/20 0.45
▸ SPHK1 Q9NYA1 1/20 0.45
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL16177 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL33449 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL2418469 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL24551 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL16774769 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL261591 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL111093 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL262456 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL38145 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1
SCHEMBL12977796 1.00 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRMAPK1

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-20120253032-A1 NOVEL CATIONIC LIPIDS WITH SHORT LIPID CHAINS FOR OLIGONUCLEOTIDE DELIVERY MERCK SHARP & DOHME CORPORATION 2012-10-04 — — US disclosed
US-5190969-A Epoxy derivatives of amino acids as viricides for treatment of HIV infections THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 1993-03-02 — — 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-20120253032-A1 NOVEL CATIONIC LIPIDS WITH SHORT LIPID CHAINS FOR OLIGONUCLEOTIDE DELIVERY NPC1L1, LDLR, NPC1 ALDH1A1 4810/4885TDP1 4728/4885SMN1; SMN2 2464/4885

“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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