SCHEMBL12977794

SCHEMBL12977794

CCCCCCCCCCCCCC[C@@H]1CO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 1.00
▸ EPHX1 P07099 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.54
▸ CYP1A2 P05177 2/20 0.48
▸ SPHK1 Q9NYA1 7/20 0.47
▸ SPHK2 Q9NRA0 6/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PRKD3 O94806 2/20 0.45
▸ PRKCG P05129 2/20 0.45
▸ PRKCB P05771 2/20 0.45
▸ PRKCA P17252 2/20 0.45
▸ PRKCH P24723 2/20 0.45
▸ PRKCI P41743 2/20 0.45
▸ PRKCE Q02156 2/20 0.45
▸ PRKCQ Q04759 2/20 0.45
▸ PRKCZ Q05513 2/20 0.45
▸ PRKCD Q05655 2/20 0.45
▸ PRKD1 Q15139 2/20 0.45
▸ ENPP2 Q13822 1/20 0.42
▸ LPAR2 Q9HBW0 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
SCHEMBL7636660 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL284455 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL284300 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL50887 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
Dodecane SCHEMBL10526677 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL2373485 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL23495987 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL8192474 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1
SCHEMBL2618504 1.00 — —
SCHEMBL10826512 1.00 ALDH1A1 (1.00) ALDH1A1EPHX1TDP1CYP1A2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-20 — — US disclosed
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-07-20 — — US disclosed
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 — — US disclosed
US-9556110-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-01-31 — — US disclosed
US-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-23 — — US disclosed
US-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2015-07-23 — — US disclosed
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 — — US disclosed
US-8969353-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-03-03 — — US disclosed
US-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 — — US disclosed
US-8450298-B2 Aminoalcohol lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-28 — — US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 — — US disclosed
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-12-01 — — US disclosed
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-30 — — US disclosed
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-12-30 — — US disclosed
WO-2010053572-A2 AMINOALCOHOL LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-05-14 — — WO 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 (4 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-20150203439-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ALDH1A1 568/4885EPHX1 58/4885TDP1 1703/4885
US-20110293703-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ALDH1A1 568/4885EPHX1 58/4885TDP1 1703/4885
US-20170204075-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ALDH1A1 568/4885EPHX1 58/4885TDP1 1703/4885
US-20100331234-A1 AMINOALCOHOL LIPIDOIDS AND USES THEREOF PHOSPHO1, PNMT, AASDHPPT ALDH1A1 568/4885EPHX1 58/4885TDP1 1703/4885

“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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