SCHEMBL4126878

SCHEMBL4126878

C=CCOc1cc(N2CCCCC2)ccc1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR Q13258 1/20 0.44
▸ HIF1A Q16665 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ PRKDC P78527 1/20 0.41
▸ MAOB P27338 5/20 0.41
▸ SLC16A3 O15427 2/20 0.41
▸ SLC16A1 P53985 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ FLT3 P36888 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL4127023 0.88 PRKDC (0.57) PTGDRHIF1AALDH1A1PRKDCMAPT
SCHEMBL6121031 0.76 FLT3 (0.47) ALDH1A1MAPTFLT3POLBL3MBTL1
SCHEMBL11821446 0.74 GAA (0.62) PTGDRALDH1A1MAOBMAPTFLT3
SCHEMBL3955768 0.74 FLT3 (0.66) ALDH1A1MAPTFLT3POLBL3MBTL1
SCHEMBL4126877 0.74 FLT3 (0.46) ALDH1A1MAOBMAPTFLT3POLB
SCHEMBL2187527 0.74 ALDH1A1 (0.50) ALDH1A1MAOBFLT3CYP3A4
SCHEMBL13596056 0.72 FLT3 (0.47) ALDH1A1MAOBMAPTFLT3POLB
SCHEMBL13596071 0.72 MAPT (0.45) ALDH1A1MAPTFLT3POLBCYP3A4
SCHEMBL11452568 0.72 TSHR (0.41) ALDH1A1MAPTFLT3L3MBTL1CYP3A4
SCHEMBL4125735 0.71 TDP1 (0.56) ALDH1A1MAPTFLT3POLBCYP1A2

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
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 — — US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 — — US disclosed
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 — — US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 — — 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 PTGDR 675/4885HIF1A 2236/4885ALDH1A1 858/4885

“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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