SCHEMBL14695225

SCHEMBL14695225

CC(C)(c1ccc(OC[C@@H](O)CCl)cc1)c1ccc(OCC(F)(F)C(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.67
▸ HTT P42858 5/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ KMT2A Q03164 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CACNA1G O43497 2/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL14694822 1.00 AR (0.67) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14694972 1.00 AR (0.67) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL6131219 0.86 AR (0.88) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL12515785 0.86 AR (0.88) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14707392 0.86 AR (0.48) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14695056 0.86 AR (0.69) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14695284 0.86 AR (0.69) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14695055 0.86 AR (0.69) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL16281213 0.85 AR (0.85) ARHTTHIF1AKMT2ASMN1; SMN2
SCHEMBL14694904 0.85 AR (0.71) ARHTTHIF1AKMT2ASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744773-B1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY (CA) 2016-11-02 — — EP disclosed
WO-2013028572-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2013-02-28 — — WO disclosed
US-20130045204-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-02-21 — — US disclosed
US-20130045204-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-02-21 — — US disclosed
US-20130045204-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-02-21 — — 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 (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-20130045204-A1 FLUORINATED BISPHENOL ETHER COMPOUNDS AND METHODS FOR THEIR USE AR, ESRRA, ESR1 AR 1/4885HTT 3985/4885HIF1A 3869/4885

“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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