SCHEMBL16565727

SCHEMBL16565727

CC(C)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)CCl)c(I)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.57
▸ HTT P42858 2/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KMT2A Q03164 4/20 0.38
▸ NR2E1 Q9Y466 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MAPT P10636 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASR P41180 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ VDR P11473 1/20 0.32

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
SCHEMBL16565944 1.00 AR (0.57) ARHTTHIF1AKMT2ANR2E1
SCHEMBL16565984 1.00 AR (0.57) ARHTTHIF1AKMT2ANR2E1
SCHEMBL16565729 1.00 AR (0.57) ARHTTHIF1AKMT2ANR2E1
SCHEMBL16565937 1.00 AR (0.57) ARHTTHIF1AKMT2ANR2E1
SCHEMBL18325720 0.94 AR (0.49) ARHTTHIF1AKMT2ANR2E1
SCHEMBL16688302 0.94 AR (0.49) ARHTTHIF1AKMT2ANR2E1
SCHEMBL18325722 0.94 AR (0.49) ARHTTHIF1AKMT2ANR2E1
SCHEMBL18325719 0.94 AR (0.49) ARHTTHIF1AKMT2ANR2E1
SCHEMBL18325723 0.94 AR (0.49) ARHTTHIF1AKMT2ANR2E1
SCHEMBL19703490 0.89 AR (0.59) ARHTTHIF1AKMT2AKDM4E

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
US-20160367707-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20150125389-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-05-07 — — US disclosed
US-20150125389-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-05-07 — — US disclosed
WO-2015031984-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-03-12 — — 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 (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-20160367707-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE KLK3, F12, RXFP3 AR 7/4885HTT 2148/4885HIF1A 3365/4885
US-20150125389-A1 HALOGENATED COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE KLK3, RXFP3, F12 AR 10/4885HTT 2165/4885HIF1A 3429/4885

“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.

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