SCHEMBL6231040

SCHEMBL6231040

Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.75
▸ THRB P10828 4/20 0.75
▸ TP53 P04637 3/20 0.75
▸ CETP P11597 11/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ PTGS2 P35354 1/20 0.54

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
SCHEMBL2249921 0.81 MAPT (0.67) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL14096523 0.78 MAPT (0.61) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL15177189 0.75 MAPT (0.80) MAPTTHRBTP53SMN1; SMN2RXFP1
SCHEMBL20768089 0.75 CETP (1.00) MAPTTP53CETP
SCHEMBL12136722 0.75 MAPT (0.81) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL9681997 0.74 NPC1 (0.71) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL15745638 0.74 NPC1 (0.66) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL8060238 0.72 NPC1 (0.75) MAPTTP53SMN1; SMN2HPGD
SCHEMBL11446660 0.72 NPC1 (0.64) MAPTTHRBTP53CETPSMN1; SMN2
SCHEMBL1735101 0.72 CEPT1 (0.70) MAPTTHRBTP53CETPSMN1; SMN2

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 — — US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 — — EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 — — US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 — — 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 MAPT 4100/4885THRB 1762/4885TP53 4203/4885

“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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