SCHEMBL15829314

SCHEMBL15829314

CC1(C)OC(C)(C)c2cc(C(=O)O)c(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
RXRA P19793 3/20 0.45
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40

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
SCHEMBL23187863 0.84 RXRA (0.38) LCKFYNRXRATSHRRARA
SCHEMBL15829321 0.84 RXRA (0.38) LCKFYNRXRARARARARB
SCHEMBL15829316 0.79 LCK (0.47) LCKFYNRXRAHSD17B10TSHR
SCHEMBL8202827 0.78 RXRA (0.69) RXRARARARARBRARG
SCHEMBL15428014 0.77 AHR (0.35)
SCHEMBL15829317 0.76 LCK (0.44) LCKFYNRXRAHSD17B10TSHR
SCHEMBL15829315 0.75 RXRA (0.50) LCKFYNRXRAHSD17B10TSHR
SCHEMBL71146 0.72 LCK (0.60) LCKFYNHSD17B10TSHRSMN1; SMN2
SCHEMBL11706863 0.70 LCK (0.58) LCKFYNHSD17B10TSHRSMN1; SMN2
SCHEMBL71307 0.70 CA12 (0.61) LCKFYNHSD17B10TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935293-B1 IRIDIUM COMPLEXES AND THEIR USE IN ELECTRONIC DEVICES, ESPECIALLY ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-08-21 EP disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
US-20150318498-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-05 US disclosed
WO-2014094962-A2 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO 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-20150318498-A1 Metal Complexes SOD1, AP1M1, AP3M1 LCK 646/4885FYN 3398/4885RXRA 3738/4885

“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.