SCHEMBL4012862

SCHEMBL4012862

COC(=O)c1cc(C(O)CNC(C)(C)CCn2cncn2)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
F2 P00734 1/20 0.38
F7 P08709 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
SCHEMBL4014681 0.87 ADRB2 (0.48) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL11748288 0.86 ADRB2 (0.49) ADRB2ADRB1ADRB3LMNAF2
SCHEMBL4016606 0.83 ADRB3 (0.37) ADRB2ADRB1ADRB3TP53F2
SCHEMBL4670569 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3LMNAF2
SCHEMBL14080487 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3LMNAF2
SCHEMBL14080472 0.81 ADRB2 (0.48) ADRB2ADRB1ADRB3LMNAF2
SCHEMBL4012485 0.78 ADRB3 (0.39) ADRB2ADRB1ADRB3F2F7
Cadaverine Tartrate SCHEMBL14080565 0.77 F2 (0.46) ADRB2ADRB1ADRB3F2F7
SCHEMBL4013270 0.77 PPARG (0.37) ADRB2ADRB1ADRB3F2F7
SCHEMBL5353356 0.75 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2LMNA

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-7511067-B2 3-hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES BOUYSSOU THIERRY 2008-06-05 US disclosed
US-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 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 (2 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-20050234112-A1 3-Hydroxymethyl-4-hydroxy-phenyl-derivatives for the treatment of respiratory diseases PAH, CYP11B1, CYP11B2 ADRB2 117/4885ADRB1 69/4885ADRB3 44/4885
US-20080132556-A1 3-HYDROXYMETHYL-4HYDROXY-PHENYL- DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES PAH, CYP1A1, CYP11B1 ADRB2 169/4885ADRB1 119/4885ADRB3 110/4885

“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.