SCHEMBL3098240

SCHEMBL3098240

Fc1ccc(OCCCCOCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MGLL Q99685 1/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KCNA3 P22001 1/20 0.50
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ AR P10275 1/20 0.47
▸ APP P05067 1/20 0.46
▸ MAOB P27338 1/20 0.46

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
SCHEMBL21383560 0.87 MEN1 (0.46) TDP1L3MBTL1MGLLMEN1ALDH1A1
SCHEMBL27634597 0.83 L3MBTL1 (0.74) TDP1L3MBTL1MEN1KMT2AKCNA3
SCHEMBL7226815 0.82 TDP1 (0.44) TDP1L3MBTL1MEN1ALDH1A1RECQL
SCHEMBL4165517 0.81 L3MBTL1 (0.55) TDP1L3MBTL1MGLLMEN1KMT2A
SCHEMBL4337813 0.81 MEN1 (0.68) L3MBTL1MEN1ALDH1A1RECQLKMT2A
SCHEMBL2640223 0.81 TSHR (0.70) TDP1L3MBTL1KCNA3TSHR
SCHEMBL6373824 0.81 SRD5A2 (0.58) L3MBTL1MEN1ALDH1A1RECQLKMT2A
SCHEMBL28156792 0.80 FFAR1 (0.60) TDP1L3MBTL1CYP1A2CYP2D6CYP2C19
SCHEMBL16594362 0.80 TSHR (0.56) TDP1L3MBTL1CYP1A2CYP2C19TSHR
SCHEMBL15079872 0.80 NPC1 (0.69) TDP1L3MBTL1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 — — US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 — — US disclosed
CN-101801933-A quinolone derivative ASTELLAS PHARMA INC 2010-08-11 — — CN disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK TDP1 3099/4885L3MBTL1 2056/4885MGLL 393/4885

“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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