SCHEMBL17449280

SCHEMBL17449280

CCCCOC(=O)c1cccc(C(=O)Cl)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.58
▸ TSHR P16473 7/20 0.53
▸ L3MBTL1 Q9Y468 4/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ MAPT P10636 2/20 0.48
▸ CYP3A4 P08684 4/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 4/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ESR1 P03372 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NR1H2 P55055 1/20 0.46
▸ RNASEL Q05823 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3885590 0.92 CYP1A2 (0.68) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL12697419 0.86 CYP1A2 (0.60) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL28434055 0.86 CYP1A2 (0.64) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL19222484 0.85 CYP1A2 (0.54) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL5452594 0.84 CYP1A2 (0.83) CYP1A2TSHRL3MBTL1MAPTCYP3A4
SCHEMBL8405218 0.82 CYP1A2 (0.72) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL30075579 0.82 CYP1A2 (0.54) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL22701452 0.78 CYP1A2 (0.83) CYP1A2TSHRL3MBTL1TDP1MAPT
SCHEMBL9426972 0.75 CYP1A2 (0.59) CYP1A2TSHRL3MBTL1MAPTCYP3A4
SCHEMBL3405851 0.75 APP (0.64) CYP1A2TSHRL3MBTL1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 — — US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 — — 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-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 CYP1A2 4556/4885TSHR 3317/4885L3MBTL1 1108/4885

“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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