SCHEMBL8003191

SCHEMBL8003191

O=C(CCC(=O)Oc1c(F)c(F)c(F)c(F)c1F)Oc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.38
VCAM1 P19320 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RECQL P46063 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL12762242 0.91 TSHR (0.56) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL23813740 0.91 ALDH1A1 (0.43) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL13705616 0.91 EGLN1 (0.43) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL17337909 0.90 KMT2A (0.48) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL4953772 0.90 KMT2A (0.44) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL21049231 0.88 KMT2A (0.43) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL1401783 0.88 ALDH1A1 (0.48) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL14968457 0.88 VCAM1 (0.41) KMT2AMAPTALDH1A1LMNAHTT
SCHEMBL25495837 0.88 KMT2A (0.43) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL522462 0.88 KMT2A (0.43) KMT2AMAPTALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165259-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-23 US disclosed
EP-4320073-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS Dana-Farber Cancer Institute, Inc. (US) 2024-02-14 EP disclosed
CN-117337267-A Bioorthogonal reactions suitable for click/click cancellation applications 达纳-法伯癌症研究所公司 2024-01-02 CN disclosed
US-6297216-B1 ADMINISTERING A DIPEPTIDE DERIVATIVE TO MAMMALS SOLVO BIOTECHNOLOGY (HU) 2001-10-02 US disclosed
EP-0770091-B1 COMPOUNDS FOR REVERSING DRUG RESISTANCE SARKADI BALAZS (HU) 2000-03-01 EP disclosed
EP-0770091-A1 COMPOUNDS FOR REVERSING DRUG RESISTANCE Sarkadi, Balazs (HU) 1997-05-02 EP disclosed
WO-1995031474-A1 COMPOUNDS FOR REVERSING DRUG RESISTANCE SARKADI BALAZS (HU) 1995-11-23 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-20240165259-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS CILK1, SYMPK, DCK KMT2A 3829/4885MAPT 3211/4885ALDH1A1 685/4885

“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.