SCHEMBL1463244

SCHEMBL1463244

COc1ccccc1OC[C@@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.64
▸ LMNA P02545 5/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ DRD4 P21917 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ CCKAR P32238 1/20 0.54
▸ OPRM1 P35372 1/20 0.54
▸ DRD3 P35462 1/20 0.54
▸ SCN1A P35498 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ SCN2A Q99250 1/20 0.54
▸ SCN3A Q9NY46 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL17342578 0.85 LMNA (0.68) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL17346625 0.78 LMNA (0.60) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL17342579 0.74 LMNA (0.55) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL17346773 0.74 LMNA (0.58) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL13872067 0.74 LMNA (0.52) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL12323566 0.73 LMNA (0.57) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL17342590 0.72 LMNA (0.53) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL13872073 0.72 LMNA (0.53) NPSR1LMNACYP1A2DRD4SLC6A2
SCHEMBL31527768 0.72 ATM (0.77) NPSR1MEN1MAPTKMT2ANPC1
SCHEMBL8602983 0.72 LMNA (0.74) NPSR1LMNACYP1A2DRD4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — US disclosed
US-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2011-03-24 — — 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-20110071142-A1 IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES CREBBP, TEAD1, SREBF1 NPSR1 3746/4885LMNA 2173/4885CYP1A2 2189/4885

“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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