SCHEMBL24925632

SCHEMBL24925632

CCOCCc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CHRNA7 P36544 2/20 0.53
CYP2A6 P11509 1/20 0.50
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HRH1 P35367 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL13798116 0.96 TDP1 (0.54) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL14524266 0.89 TDP1 (0.64) TDP1L3MBTL1CHRNA7CYP2A6HRH4
SCHEMBL22161582 0.87 L3MBTL1 (0.61) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL23014817 0.86 TDP1 (0.65) TDP1L3MBTL1CHRNA7CYP2A6HRH4
SCHEMBL4812510 0.81 CHRNA7 (0.53) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL273379 0.81 CHRNA7 (0.57) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL774717 0.81 CHRNB2 (0.52) TDP1L3MBTL1CHRNA7CHRNB2CHRNA4
SCHEMBL2608908 0.81 CHRNA7 (0.49) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2
SCHEMBL30935631 0.80 CHRNA7 (0.52) TDP1L3MBTL1CHRNA7CYP2A6HRH1
SCHEMBL9755554 0.80 CHRNA7 (0.52) TDP1L3MBTL1CHRNA7CYP2A6CHRNB2

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
CN-106904710-A A kind of flocculant spiral pipeline, preparation method and applications 徐州工程学院 2017-06-30 CN claimed
US-11702429-B2 mTORC modulators and uses thereof AEOVIAN PHARMACEUTICALS, INC. (US) 2023-07-18 US disclosed
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF EVOTEC (FRANCE) SAS (FR) 2023-01-19 US disclosed
CN-106904710-A A kind of flocculant spiral pipeline, preparation method and applications 徐州工程学院 2017-06-30 CN 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-11702429-B2 mTORC modulators and uses thereof MTOR, RICTOR, RPTOR TDP1 3445/4885L3MBTL1 1721/4885CHRNA7 4861/4885
US-20230013344-A1 MTORC MODULATORS AND USES THEREOF MTOR, RICTOR, RPTOR TDP1 3445/4885L3MBTL1 1721/4885CHRNA7 4861/4885

“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.