SCHEMBL684073

SCHEMBL684073

CCCc1nc(C(C)(C)O)c(C(=O)Oc2oc(=O)oc2C)n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.60
AGTR2 P50052 2/20 0.60
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
ABCB11 O95342 1/20 0.60
CYP3A4 P08684 1/20 0.60
PDE4D Q08499 1/20 0.60
PDE3A Q14432 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60

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
SCHEMBL683704 0.95 AGTR1 (0.55) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7302141 0.88 AGTR1 (0.76) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL682618 0.86 AGTR1 (0.63) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7310143 0.85 AGTR1 (0.63) AGTR1AGTR2
Hydrochloric Acid SCHEMBL7303166 0.85 AGTR1 (0.62) AGTR1AGTR2
Hydrochloric Acid SCHEMBL8568621 0.84 AGTR2 (0.74) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL8561876 0.84 AGTR2 (0.74) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL7300047 0.84 AGTR1 (0.70) AGTR1AGTR2ABCC3ABCC4ABCB11
SCHEMBL684085 0.84 AGTR1 (0.71) AGTR1AGTR2
SCHEMBL683769 0.82 AGTR1 (0.58) AGTR1AGTR2ABCC3ABCC4ABCB11

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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 (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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 AGTR1 3252/4885AGTR2 2610/4885ABCC3 4557/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF AGTR1 8/4885AGTR2 9/4885ABCC3 4229/4885

“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.