SCHEMBL21391569

SCHEMBL21391569

CCCC[C@@H](C)CCc1ccc(O)cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
TYR P14679 4/20 0.40
EGFR P00533 4/20 0.39
NAAA Q02083 1/20 0.39
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 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
SCHEMBL22279672 0.88 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL2772016 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL22279671 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2318550 0.77 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL24808775 0.75 CYP46A1 (0.42) MAPTHTTKMT2ATDP1ALDH1A1
SCHEMBL8233234 0.74 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL31444122 0.74 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL21391568 0.73 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL10633837 0.73 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29288325 0.72 CA12 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10660974-B2 Chemiluminescent probes for diagnostics and in vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-05-26 US disclosed
US-20190290787-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2019-09-26 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 (2 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-10660974-B2 Chemiluminescent probes for diagnostics and in vivo imaging DAXX, DCAF15, DCAF1 CA12 293/4885CA1 1716/4885CA2 2871/4885
US-20190290787-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, DCAF1 CA12 293/4885CA1 1716/4885CA2 2871/4885

“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.