SCHEMBL16077979

SCHEMBL16077979

CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)N(CC(O)COc1ccc(CCOCC2CC2)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRB2 P07550 1/20 0.50
GAA P10253 1/20 0.50
BLM P54132 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL16081355 0.80 ADRB1 (0.55) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL21916490 0.73 ADRB1 (0.55) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL26133050 0.73 ADRB1 (0.55) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL13979172 0.73 ADRB1 (0.67) ADRB1LMNAMEN1KMT2ACYP2D6
Betaxolol SCHEMBL26664793 0.70 ADRB1 (0.90) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL16077977 0.69 ADRB1 (0.54) ADRB1LMNAMEN1KMT2ACYP2D6
SCHEMBL11875628 0.69 ADRB2 (0.53) ADRB1MEN1KMT2ACYP2D6ADRB2
Betaxolol SCHEMBL26664771 0.69 ADRB1 (0.86) ADRB1LMNAMEN1KMT2ACYP2D6
Betaxolol SCHEMBL4997902 0.69 ADRB1 (1.00) ADRB1LMNAMEN1KMT2ACYP2D6
Betaxolol SCHEMBL6512495 0.69 ADRB1 (1.00) ADRB1LMNAMEN1KMT2ACYP2D6

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-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery COYOTE PHARMACEUTICALS, INC. 2014-09-18 US disclosed
US-20140275281-A1 Geranylgeranyl acetone and derivatives thereof for intranasal administration COYOTE PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275281-A1 Geranylgeranyl acetone and derivatives thereof for intranasal administration COYOTE PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery COYOTE PHARMACEUTICALS, INC. 2014-09-18 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-20140275281-A1 Geranylgeranyl acetone and derivatives thereof for intranasal administration GGPS1, NAA50, GAP43 ADRB1 133/4885LMNA 2669/4885MEN1 1705/4885
US-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery FNTA, GGPS1, GNPAT ADRB1 410/4885LMNA 1906/4885MEN1 3061/4885

“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.