SCHEMBL18817998

SCHEMBL18817998

CCC(C)OCCOCc1ccc(OCC(O)CNC(C)C)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 4/20 0.80
▸ ADRB2 P07550 3/20 0.80
▸ ADRB3 P13945 1/20 0.80
▸ LMNA P02545 4/20 0.69
▸ NFKB1 P19838 2/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ THRB P10828 1/20 0.69
▸ ALOX12 P18054 1/20 0.69
▸ APEX1 P27695 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ PTGS1 P23219 1/20 0.59
▸ SLC6A2 P23975 1/20 0.59
▸ ADRA1A P35348 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ NR3C1 P04150 1/20 0.58
▸ CYP2J2 P51589 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ TDP1 Q9NUW8 2/20 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
Bisoprolol SCHEMBL20961 0.89 ADRB1 (1.00) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL20960 0.89 ADRB1 (1.00) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL6510329 0.89 ADRB1 (1.00) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL233810 0.89 ADRB1 (1.00) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL4269272 0.88 ADRB1 (0.98) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL16821829 0.88 ADRB1 (0.98) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL16821831 0.88 ADRB1 (0.98) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL3137111 0.88 ADRB2 (0.98) ADRB1ADRB2ADRB3LMNANFKB1
Bisoprolol SCHEMBL3137123 0.88 ADRB2 (0.98) ADRB1ADRB2ADRB3LMNANFKB1
SCHEMBL28409380 0.88 ADRB2 (0.80) ADRB1ADRB2ADRB3LMNANFKB1

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-20170129925-A1 PROCESS OF PREPARING GUANYLATE CYCLASE C AGONISYS SYNERGY PHARMACEUTICALS INC. (US) 2017-05-11 — — 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-20170129925-A1 PROCESS OF PREPARING GUANYLATE CYCLASE C AGONISYS GUCY1B1, GUCY1A1, GMPS ADRB1 37/4885ADRB2 219/4885ADRB3 139/4885

“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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