SCHEMBL19204564

SCHEMBL19204564

COC(=C1C2CC3CC(C2)CC1C3)c1ccc(I)c(O)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.38
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
XDH P47989 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MGLL Q99685 1/20 0.32
FOXM1 Q08050 2/20 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
SCHEMBL25320640 0.84 ALDH1A1 (0.32) MGLL
SCHEMBL25910791 0.84 ALDH1A1 (0.32) MGLL
SCHEMBL30519034 0.84 ALDH1A1 (0.32) MGLL
SCHEMBL25320643 0.84 ALDH1A1 (0.32) MGLL
SCHEMBL25911592 0.83 MGLL (0.30) MGLL
SCHEMBL29030456 0.83 ESR1 (0.38) ESR1CA12CA1CA2CA7
SCHEMBL10199696 0.83 ESR1 (0.38) ESR1CA12CA1CA2CA7
SCHEMBL29030455 0.83 ESR1 (0.38) ESR1CA12CA1CA2CA7
SCHEMBL7524110 0.83 RECQL (0.43) ESR1
SCHEMBL25519028 0.79 ESR1 (0.40) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410064-A Method for synthesizing 2- (alpha-methoxy-3-hydroxy benzylidene) adamantane compound 西安交通大学 2023-07-11 CN disclosed
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-02-17 US disclosed
US-11179482-B2 Chemiluminescent probes for diagnostics and in vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2021-11-23 US disclosed
EP-3408349-B1 CHEMILUMINESCENT FLUOROPHOR-LINKED ADAMANTYLENE-DIOXETANE PROBES AS DIAGNOSTICS OR IN-VIVO IMAGING SENSORS UNIV RAMOT (IL) 2021-03-31 EP disclosed
US-20200237932-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-07-30 US disclosed
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
WO-2017130191-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-08-03 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 (5 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 ESR1 282/4885CA12 293/4885CA1 1716/4885
US-20200237932-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, CDY1; CDY1B ESR1 448/4885CA12 59/4885CA1 504/4885
US-20220047725-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, CDY1; CDY1B ESR1 448/4885CA12 59/4885CA1 504/4885
US-11179482-B2 Chemiluminescent probes for diagnostics and in vivo imaging DAXX, DCAF15, CDY1; CDY1B ESR1 448/4885CA12 59/4885CA1 504/4885
US-20190290787-A1 CHEMILUMINESCENT PROBES FOR DIAGNOSTICS AND IN VIVO IMAGING DAXX, DCAF15, DCAF1 ESR1 282/4885CA12 293/4885CA1 1716/4885

“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.