SCHEMBL12803618

SCHEMBL12803618

Cc1cc(CO)cc2cc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.43
▸ CHUK O15111 2/20 0.43
▸ BRD4 O60885 2/20 0.37
▸ CFB P00751 6/20 0.36
▸ CDK8 P49336 1/20 0.35
▸ GRM5 P41594 5/20 0.35
▸ CECR2 Q9BXF3 2/20 0.33
▸ TAF1 P21675 1/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ BRD9 Q9H8M2 1/20 0.33
▸ REN P00797 1/20 0.32
▸ SHBG P04278 1/20 0.32
▸ ACHE P22303 1/20 0.31

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
SCHEMBL14526754 0.83 REN (0.38) IKBKBCHUKBRD4CFBGRM5
SCHEMBL12804137 0.81 CFB (0.36) IKBKBCHUKBRD4CFBCDK8
SCHEMBL15709253 0.78 IKBKB (0.43) IKBKBCHUKBRD4CDK8ACHE
SCHEMBL15178273 0.75 TAS1R3 (0.33) —
SCHEMBL1997793 0.75 ALOX15 (0.45) IKBKBCHUKBRD4GRM5CECR2
SCHEMBL4798726 0.74 CYP1A2 (0.40) IKBKBCHUKBRD4CFBGRM5
SCHEMBL4484912 0.72 AHR (0.47) IKBKBCHUKBRD4CFBGRM5
SCHEMBL27237602 0.71 IKBKB (0.42) IKBKBCHUK
SCHEMBL2983533 0.71 ALDH1A1 (0.38) IKBKBCHUKBRD4CFBGRM5
SCHEMBL2599709 0.71 AHR (0.45) IKBKBCHUKBRD4GRM5CECR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — WO disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 IKBKB 3171/4885CHUK 2584/4885BRD4 315/4885

“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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