SCHEMBL4075236

SCHEMBL4075236

CCOC(=O)c1ccc(CCCO)c(CCCO)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 3/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
TSHR P16473 1/20 0.44
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL27743439 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP4F2CYP4A11TSHR
SCHEMBL28705199 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRLMNACYP1A2
SCHEMBL626005 0.80 DHODH (0.38) ALDH1A1CA2LMNACYP1A2CYP3A4
SCHEMBL4914060 0.80 ALDH1A1 (0.51) ALDH1A1HSD17B10TSHRCA12CA1
SCHEMBL8117430 0.80 CYP4F2 (0.48) ALDH1A1HSD17B10CYP4F2CYP4A11TSHR
SCHEMBL28328739 0.79 ALDH1A1 (0.53) ALDH1A1HSD17B10TSHRCA12CA1
SCHEMBL28430409 0.77 KDM4E (0.46) ALDH1A1HSD17B10TSHRCA12CA1
SCHEMBL27483309 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP1A2KMT2A
SCHEMBL2909323 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10TSHRCA12CA1
SCHEMBL14953087 0.77 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRCA12CA1

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-7597825-B2 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-10-06 US disclosed
US-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions HALLSTAR INNOVATIONS CORP. (US) 2009-02-12 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-20090039323-A1 Method of quenching electronic excitation of chromophore-containing organic molecules in photoactive compositions CRYAA, CRY2, CRY1 ALDH1A1 476/4885HSD17B10 671/4885CYP4F2 377/4885

“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.