SCHEMBL1414751

SCHEMBL1414751

O=Cc1ccc(OC(F)(F)CF)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
AOX1 Q06278 1/20 0.54
KDM4E B2RXH2 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.46
TTR P02766 2/20 0.46
ALDH5A1 P51649 2/20 0.42
ABAT P80404 2/20 0.42
TRIM24 O15164 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
TSHR P16473 1/20 0.39
APP P05067 3/20 0.38
FDPS P14324 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
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
SCHEMBL24445666 0.83 ALDH1A1 (0.61) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL1414779 0.80 ALDH1A1 (0.62) ALDH1A1AOX1KDM4ERAB9ATTR
SCHEMBL4130397 0.78 ALDH1A1 (0.63) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL17051274 0.77 ALDH1A1 (0.61) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL20869201 0.77 ALDH1A1 (0.66) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL1414586 0.77 ALDH5A1 (0.48) ALDH1A1TTRALDH5A1ABATHPGD
SCHEMBL1414753 0.76 ALDH1A1 (0.56) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL2254768 0.74 ALDH1A1 (0.57) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL15952417 0.73 ALDH1A1 (0.56) ALDH1A1AOX1KDM4EPTGS2RAB9A
SCHEMBL1414595 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDMAPT

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-2025661-B1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD (CN) 2011-03-16 EP disclosed
US-7786098-B2 Fluoroalkoxycombretastatin derivatives, method for producing the same and use thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO. LTD. (CN) 2010-08-31 US disclosed
EP-2025661-A1 FLUOROALKYLOXY-CONTAINING COMBRETASTATIN DERIVATIVES, PREPARATION AND USE THEREOF Zhejiang Dade Pharmaceutical Group Co., Ltd. (CN) 2009-02-18 EP disclosed
US-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof ZHEJIANG DADE PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-11 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-20080306027-A1 Fluoroalkoxycombretastatin Derivatives, Method For Producing the Same and Use Thereof TUBB, TUBB1, TUBB3 ALDH1A1 4116/4885AOX1 3559/4885KDM4E 3642/4885

“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.