SCHEMBL19821464

SCHEMBL19821464

CCOC(=O)c1cc(OCCCCCCCCOc2cc(C(=O)OCC)c(OCCCCCCCCO)cc2C(=O)OCC)c(C(=O)OCC)cc1O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL19821459 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL19821468 1.00 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL19821469 0.83 EP300 (0.43) CA12CA1CA2CA7CA9
SCHEMBL19821470 0.83 EP300 (0.43) CA12CA1CA2CA7CA9
SCHEMBL668867 0.82 TSHR (0.54) KMT2ATSHRMEN1LMNATP53
SCHEMBL19821465 0.81 MEN1 (0.50) KMT2AHSP90AA1TSHRMEN1
SCHEMBL19821460 0.81 MEN1 (0.50) KMT2AHSP90AA1TSHRMEN1
SCHEMBL19821458 0.81 MEN1 (0.50) KMT2AHSP90AA1TSHRMEN1
SCHEMBL7760951 0.80 KMT2A (0.44) CA12CA1CA2CA7CA9
SCHEMBL7754584 0.80 KMT2A (0.47) CA12CA1CA2CA7CA9

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-20180030213-A1 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF MASSACHUSETTS INST TECHNOLOGY (US) 2018-02-01 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-20180030213-A1 BLOCK CO-POLY(METAL ORGANIC NANOSTRUCTURES) (BCPMONS) AND USES THEREOF MB, EBPL, POF1B CA12 81/4885CA1 288/4885CA2 631/4885

“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.