SCHEMBL5954423

SCHEMBL5954423

Cn1ccc2cccc(Oc3ccnc(OCCn4ccnc4)n3)c21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TSHR P16473 2/20 0.44
▸ TBXAS1 P24557 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5118461 0.82 TBXAS1 (0.46) ALDH1A1TBXAS1KDM4ELMNASMN1; SMN2
SCHEMBL5954597 0.73 HTR7 (0.35) KDM4E
SCHEMBL5954538 0.70 CHKA (0.38) TSHRKDM4EMEN1KMT2A
SCHEMBL8685340 0.69 LMNA (0.67) ALDH1A1ALOX15MAPK1HSD17B10TSHR
SCHEMBL5953966 0.68 ACHE (0.42) ALDH1A1
SCHEMBL5953991 0.67 CYP2D6 (0.39) TSHRKDM4ELMNAHPGDSMN1; SMN2
SCHEMBL28731675 0.67 TBXAS1 (0.57) ALDH1A1ALOX15MAPK1HSD17B10TSHR
SCHEMBL7590379 0.64 ALDH1A1 (0.60) ALDH1A1MAPK1TBXAS1KDM4EHTT
SCHEMBL5954527 0.64 IKBKB (0.46) —
SCHEMBL12251441 0.63 L3MBTL1 (0.41) ALDH1A1KDM4ELMNAPOLBMEN1

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-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 — — US claimed

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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 ALDH1A1 1355/4885ALOX15 454/4885MAPK1 525/4885

“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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