SCHEMBL12433200

SCHEMBL12433200

COCCCN(CCCOC)C(=O)C(=O)N(CCCOC)CCCOC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
RECQL P46063 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
MLYCD O95822 1/20 0.31
MLNR O43193 1/20 0.31

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
SCHEMBL28987475 0.83 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL11373230 0.78 MAPK1 (0.38) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL11366813 0.76 LMNA (0.40) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL16285083 0.76 ZDHHC20 (0.44) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL12387739 0.75 KDM4E (0.44) ALDH1A1TSHRLMNAGAATP53
SCHEMBL25489016 0.74 CA14 (0.51) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL224145 0.73 HDAC1 (0.39) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL17174826 0.72 ADRB2 (0.44) ALDH1A1TSHRMAPK1MMP1MMP2
SCHEMBL11379890 0.72 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1HDAC1HDAC6
SCHEMBL31664518 0.72 MMP1 (0.47) ALDH1A1TSHRHDAC1HDAC6MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183365-A1 MACROCYCLES LUMIPHORE, INC. 2017-06-29 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-08-04 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 (3 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-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES SLC39A3, SLC30A5, SLC40A1 ALDH1A1 3214/4885TSHR 238/4885MAPK1 4867/4885
US-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 ALDH1A1 1827/4885TSHR 1461/4885MAPK1 4795/4885
US-20170183365-A1 MACROCYCLES HCCS, ABCB7, AURKAIP1 ALDH1A1 1863/4885TSHR 1004/4885MAPK1 4778/4885

“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.