SCHEMBL16077977

SCHEMBL16077977

COC(C)(CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC(CNC(C)C)COc1ccc(CCOCC2CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.54
LMNA P02545 2/20 0.54
CYP2D6 P10635 1/20 0.54
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 1/20 0.54
ADRB2 P07550 1/20 0.53
GAA P10253 1/20 0.53
BLM P54132 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
Betaxolol SCHEMBL4997902 0.71 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL6512495 0.71 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Levobetaxolol SCHEMBL23532 0.71 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL23531 0.71 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL23530 0.71 ADRB1 (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
SCHEMBL13923772 0.71 ADRB1 (0.79) ADRB1LMNACYP2D6MEN1CYP1A2
Levobetaxolol SCHEMBL42795 0.70 LMNA (1.00) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL26664823 0.70 ADRB1 (0.98) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL26664826 0.70 ADRB1 (0.98) ADRB1LMNACYP2D6MEN1CYP1A2
Betaxolol SCHEMBL42794 0.70 LMNA (1.00) ADRB1LMNACYP2D6MEN1CYP1A2

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-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

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 2669/4885CYP2D6 3616/4885
US-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery FNTA, GGPS1, GNPAT ADRB1 410/4885LMNA 1906/4885CYP2D6 537/4885

“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.