SCHEMBL21391568

SCHEMBL21391568

CCCC[C@@H](C)CCc1cc(O)cc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
PTGS2 P35354 4/20 0.41
CYP3A4 P08684 1/20 0.41
LNPEP Q9UIQ6 3/20 0.39
ERAP2 Q6P179 2/20 0.39
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL22279669 0.92 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2668277 0.81 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL11626755 0.77 PTGS2 (0.63) PTGS2CYP3A4CNR1CNR2
SCHEMBL90400 0.76 CA1 (0.70) CA12CA1CA2CA7CA9
SCHEMBL16247137 0.75 CYP4A11 (0.51) CA12CA1CA2CA7CA9
SCHEMBL19259022 0.75 CYP4A11 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3132398 0.74 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL2319081 0.74 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL21391569 0.73 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8817563 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.