SCHEMBL25754056

SCHEMBL25754056

COC(=O)CCCCC(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 4/20 0.47
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
PKM P14618 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
MLYCD O95822 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL18992940 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL21451771 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL18992784 0.98 TSHR (0.56) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL31404320 0.93 TSHR (0.61) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL4767255 0.84 TSHR (0.53) TSHRLMNAALDH1A1RECQLKMT2A
SCHEMBL9103267 0.84 TSHR (0.57) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL5249892 0.83 TSHR (0.54) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL23930706 0.82 TSHR (0.52) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL22309118 0.82 TSHR (0.52) TSHRLMNAALDH1A1RECQLPKM
SCHEMBL14338385 0.82 TSHR (0.52) TSHRLMNAALDH1A1RECQLPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11680034-B2 Fluoroalkyl, fluoroalkoxy, phenoxy, heteroaryloxy, alkoxy, and amine 1,4-benzoquinone derivatives for treatment of oxidative stress disorders PTC THERAPEUTICS, INC. (US) 2023-06-20 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-11680034-B2 Fluoroalkyl, fluoroalkoxy, phenoxy, heteroaryloxy, alkoxy, and amine 1,4-benzoquinone derivatives for treatment of oxidative stress disorders NFE2L2, NQO1, ALDH2 TSHR 2889/4885LMNA 505/4885ALDH1A1 312/4885

“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.