SCHEMBL20152002

SCHEMBL20152002

CCCCOC(=O)OCCCOC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.44
HPGD P15428 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
NAAA Q02083 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 1/20 0.39
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL407053 0.91 ALDH1A1 (0.58) ALDH1A1ATMTSHRHPGDHCAR2
Hydrogen Peroxide SCHEMBL29156826 0.89 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
Water SCHEMBL27873279 0.89 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL30938821 0.89 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28515577 0.85 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL31633585 0.85 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL332803 0.85 NAAA (0.56) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL9480850 0.84 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDNAAA
SCHEMBL37837 0.84 ALDH1A1 (0.67) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28118273 0.83 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133333-A1 BIODEGRADABLE THERMO-RESPONSIVE POLYMERS AND USES THEREOF Tht Trustees of Columbia University in the City of New York (US) 2018-05-17 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-20180133333-A1 BIODEGRADABLE THERMO-RESPONSIVE POLYMERS AND USES THEREOF HEATR6, CHIA, HSF1 ALDH1A1 205/4885ATM 1899/4885TSHR 4234/4885

“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.